2-Aminopyrimidine-5-carboxylic Acid - CAS 3167-50-8

Catalog:	BB021018
Product Name:	2-Aminopyrimidine-5-carboxylic Acid
CAS:	3167-50-8
Synonyms:	2-amino-5-pyrimidinecarboxylic acid; 2-aminopyrimidine-5-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-aminopyrimidine-5-carboxylic acid
Description:	2-Aminopyrimidine-5-carboxylic Acid (CAS# 3167-50-8) is a useful research chemical.
Molecular Weight:	139.11
Molecular Formula:	C5H5N3O2
Canonical SMILES:	C1=C(C=NC(=N1)N)C(=O)O
InChI:	InChI=1S/C5H5N3O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)
InChI Key:	CBRLWSXYXSFYSP-UHFFFAOYSA-N
Boiling Point:	474.584 °C at 760 mmHg
Density:	1.534 g/cm³
MDL:	MFCD05864791
LogP:	0.33820

Publication Number	Title	Priority Date
CN-109516961-B	Aminoquinazolinone and aminoisoquinolinone derivatives and uses thereof	20181225
WO-2020134921-A1	Amino quinazolinone, amino isoquinolone derivatives and application thereof	20181225
CN-109305941-A	Bis- target spot inhibitor of a kind of HDACs and MDM2 and its preparation method and application	20180705
CN-110655491-A	Simple preparation method of 2-aminopyrimidine-5-formic ether	20180629
CN-110655491-B	Simple preparation method of 2-aminopyrimidine-5-formic ether	20180629

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GHS Hazard Statement:	H302+H312+H332 (95%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.038176411
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	139.038176411
Rotatable Bond Count:	1
Topological Polar Surface Area:	89.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6