N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide

C12H11N3O3 — CID 137147299

IUPACN-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(=O)[nH]cn2)cc1
InChIInChI=1S/C12H11N3O3/c1-18-9-4-2-8(3-5-9)15-12(17)10-6-11(16)14-7-13-10/h2-7H,1H3,(H,15,17)(H,13,14,16)
InChIKeyVSQALZZVLGYFJY-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.03
Rot. Bonds3

About N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide

N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137147299) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137147299
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(=O)[nH]cn2)cc1
InChIInChI=1S/C12H11N3O3/c1-18-9-4-2-8(3-5-9)15-12(17)10-6-11(16)14-7-13-10/h2-7H,1H3,(H,15,17)(H,13,14,16)
InChIKeyVSQALZZVLGYFJY-UHFFFAOYSA-N
XLogP1.03
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147318
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859
N-(4-methoxyphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 55042638
N-(3-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136655098
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147363
6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide
CID 136666350
5-hydrazinyl-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 113436268
N-(4-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666385
N-(4-methoxyphenyl)-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849862
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147289

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 137147299) is N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(=O)[nH]cn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is VSQALZZVLGYFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-9-4-2-8(3-5-9)15-12(17)10-6-11(16)14-7-13-10/h2-7H,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137147299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).