2-(Aminomethyl)pyrimidine - CAS 75985-45-4

Catalog:	BB035458
Product Name:	2-(Aminomethyl)pyrimidine
CAS:	75985-45-4
Synonyms:	2-pyrimidinylmethanamine; pyrimidin-2-ylmethanamine

Technical Data

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Computed Properties

IUPAC Name:	pyrimidin-2-ylmethanamine
Description:	2-Pyrimidinemethanamine can be prepared to combat abiotic plant stress.
Molecular Weight:	109.13
Molecular Formula:	C5H7N3
Canonical SMILES:	C1=CN=C(N=C1)CN
InChI:	InChI=1S/C5H7N3/c6-4-5-7-2-1-3-8-5/h1-3H,4,6H2
InChI Key:	ROSKZJGILXBSFM-UHFFFAOYSA-N
Boiling Point:	179.9 °C at 760 mmHg
Density:	1.138 g/cm³
Appearance:	Liquid
LogP:	0.63560

Publication Number	Title	Priority Date
CN-112409271-A	Environment-friendly preparation method of sulfadimidine	20201127
CN-111925531-A	Preparation method and application of Cd-MOF fluorescent probe material	20200717
CN-113248448-A	2-arylamine-4-amino quinazoline compound, preparation method and application thereof	20200213
WO-2021122745-A1	4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]piperidin-3-ol compounds and their therapeutic use	20191216
US-2021047287-A1	Nonpeptide somatostatin type 5 receptor agonists and uses thereof	20190814

PMID	Publication Date	Title	Journal
21996517	20111115	Molecular dynamics simulations and MM/GBSA methods to investigate binding mechanisms of aminomethylpyrimidine inhibitors with DPP-IV	Bioorganic & medicinal chemistry letters
15255723	20040723	Stereoselectivity and regioselectivity in nucleophilic ring opening in derivatives of 3-phenylisoxazolo[2,3-a]pyrimidine. Unpredicted dimerization and ring transformation. Syntheses of derivatives of pyrimidinylmethylamine, pyrimidinylmethylamino acid amides, and alpha-amino-2-pyrimidinylacetamides	The Journal of organic chemistry
15177477	20040705	An aminomethylpyrimidine DPP-IV inhibitor with improved properties	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	58.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.063997236
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	109.063997236
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9