Methyl 2-aminopyrimidine-5-carboxylate - CAS 308348-93-8

Name: Methyl 2-aminopyrimidine-5-carboxylate
Brand: BOC Sciences
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Catalog:	BB020741
Product Name:	Methyl 2-aminopyrimidine-5-carboxylate
CAS:	308348-93-8
Synonyms:	2-amino-5-pyrimidinecarboxylic acid methyl ester; methyl 2-aminopyrimidine-5-carboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	methyl 2-aminopyrimidine-5-carboxylate
Description:	Methyl 2-aminopyrimidine-5-carboxylate (CAS# 308348-93-8) is a useful research chemical.
Molecular Weight:	153.14
Molecular Formula:	C6H7N3O2
Canonical SMILES:	COC(=O)C1=CN=C(N=C1)N
InChI:	InChI=1S/C6H7N3O2/c1-11-5(10)4-2-8-6(7)9-3-4/h2-3H,1H3,(H2,7,8,9)
InChI Key:	JVHBXKOTWYZYDF-UHFFFAOYSA-N
Boiling Point:	344.232 °C at 760 mmHg
Purity:	98 %
Density:	1.32 g/cm³
MDL:	MFCD08275693
LogP:	0.42660

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112778212-A	Synthesis method of cropanisin intermediate 2-aminopyrimidine-5-methyl carboxylate	20210128
US-2020078364-A1	Combination therapy with a phosphoinositide 3-kinase inhibitor with a zinc binding moiety	20180911
WO-2020055840-A1	Combination therapy with a phosphoinositide 3-kinase inhibitor with a zinc binding moiety	20180911
CN-113164466-A	Combination therapy using phosphoinositide 3-kinase inhibitors having zinc binding moieties	20180911
EP-3849554-A1	Combination therapy with a phosphoinositide 3-kinase inhibitor with a zinc binding moiety	20180911

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.053826475
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.053826475
Rotatable Bond Count:	2
Topological Polar Surface Area:	78.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3