2-Amino-4-pyrimidinecarboxylic Acid - CAS 2164-65-0

Name: 2-Amino-4-pyrimidinecarboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017040
Product Name:	2-Amino-4-pyrimidinecarboxylic Acid
CAS:	2164-65-0
Synonyms:	2-amino-4-pyrimidinecarboxylic acid; 2-aminopyrimidine-4-carboxylic acid

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Computed Properties

IUPAC Name:	2-aminopyrimidine-4-carboxylic acid
Description:	2-Amino-4-pyrimidinecarboxylic Acid (CAS# 2164-65-0) is a substrate of the enzyme lathyrine synthase, and a precursor of the pyrimidine moiety of the non-protein amino acid lathyrine.
Molecular Weight:	139.11
Molecular Formula:	C5H5N3O2
Canonical SMILES:	C1=CN=C(N=C1C(=O)O)N
InChI:	InChI=1S/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)
InChI Key:	GKFPFLBDQJVJIH-UHFFFAOYSA-N
Boiling Point:	474.6 °C at 760 mmHg
Density:	1.533 g/cm³
MDL:	MFCD07783936
LogP:	0.33820

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	139
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:	-0.3