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Ethyl 4-((3-Chloro-4-methoxybenzyl)amino)-2-hydroxypyrimidine-5-carboxylate

Ethyl 4-((3-Chloro-4-methoxybenzyl)amino)-2-hydroxypyrimidine-5-carboxylate - CAS 330785-99-4

Name: Ethyl 4-((3-Chloro-4-methoxybenzyl)amino)-2-hydroxypyrimidine-5-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB066109
Product Name:	Ethyl 4-((3-Chloro-4-methoxybenzyl)amino)-2-hydroxypyrimidine-5-carboxylate
CAS:	330785-99-4
Synonyms:	AVANAFIL IMPURITY 15; 2-hydroxy-4-(3-chloro-4-methoxybenzylamino)-5-ethoxycarbonylpyrimidine; ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-hydroxypyrimidine-5-carboxylate

Technical Data

Computed Properties

IUPAC Name:	ethyl 6-[(3-chloro-4-methoxyphenyl)methylamino]-2-oxo-1H-pyrimidine-5-carboxylate
Molecular Weight:	337.76
Molecular Formula:	C15H16ClN3O4
Canonical SMILES:	CCOC(=O)C1=C(NC(=O)N=C1)NCC2=CC(=C(C=C2)OC)Cl
InChI:	InChI=1S/C15H16ClN3O4/c1-3-23-14(20)10-8-18-15(21)19-13(10)17-7-9-4-5-12(22-2)11(16)6-9/h4-6,8H,3,7H2,1-2H3,(H2,17,18,19,21)
InChI Key:	JXDHLYZHVMLIGM-UHFFFAOYSA-N

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Related Functional Groups

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Complexity:	521
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	337.0829337
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	337.0829337
Rotatable Bond Count:	7
Topological Polar Surface Area:	89Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6