2-Amino-4-(dimethoxymethyl)pyrimidine - CAS 165807-05-6

Catalog:	BB012219
Product Name:	2-Amino-4-(dimethoxymethyl)pyrimidine
CAS:	165807-05-6
Synonyms:	4-(dimethoxymethyl)-2-pyrimidinamine; 4-(dimethoxymethyl)pyrimidin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4-(dimethoxymethyl)pyrimidin-2-amine
Description:	2-Amino-4-(dimethoxymethyl)pyrimidine (CAS# 165807-05-6) is a useful research chemical.
Molecular Weight:	169.18
Molecular Formula:	C7H11N3O2
Canonical SMILES:	COC(C1=NC(=NC=C1)N)OC
InChI:	InChI=1S/C7H11N3O2/c1-11-6(12-2)5-3-4-9-7(8)10-5/h3-4,6H,1-2H3,(H2,8,9,10)
InChI Key:	OQINWXZQCAIVNK-UHFFFAOYSA-N
Boiling Point:	295.3 °C at 760 mmHg
Density:	1.2 g/cm³
MDL:	MFCD05864792
LogP:	0.93140

Publication Number	Title	Priority Date
CN-108033916-A	A kind of preparation of amino acid esters compound and its purposes of prevention tobacco diseases	20171218
CN-108033916-B	Preparation of amino acid ester compound and application of amino acid ester compound in preventing and treating tobacco diseases	20171218
AU-2018262108-A1	Compounds for the treatment of respiratory diseases	20170503
CN-110753688-A	Compounds for the treatment of respiratory diseases	20170503
EP-3619204-A1	Compounds for the treatment of respiratory diseases	20170503

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.085126602
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.085126602
Rotatable Bond Count:	3
Topological Polar Surface Area:	70.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5