6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide

C12H12N4O2 — CID 143890535

IUPAC6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2[nH]c(=O)ncc2C(N)=O)cc1
InChIInChI=1S/C12H12N4O2/c1-7-2-4-8(5-3-7)15-11-9(10(13)17)6-14-12(18)16-11/h2-6H,1H3,(H2,13,17)(H2,14,15,16,18)
InChIKeyRIEXTVYZUBRRAA-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.92
Rot. Bonds3

About 6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide

6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 143890535) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID143890535
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2[nH]c(=O)ncc2C(N)=O)cc1
InChIInChI=1S/C12H12N4O2/c1-7-2-4-8(5-3-7)15-11-9(10(13)17)6-14-12(18)16-11/h2-6H,1H3,(H2,13,17)(H2,14,15,16,18)
InChIKeyRIEXTVYZUBRRAA-UHFFFAOYSA-N
XLogP0.92
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-amino-2-(4-methylanilino)pyrimidin-5-yl]ethanone
CID 143902091
6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 141334617
5-(4-methylanilino)-2H-triazole-4-carboxamide
CID 45496899
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
2-N-(4-methylphenyl)pyridine-2,3-dicarboxamide
CID 143053428
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide
CID 123557222
3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
4-(4-methylanilino)quinoline-3-carbothioamide
CID 43669603
5-[4-(aminomethyl)anilino]-6-methyl-1H-pyrimidin-2-one
CID 115037766
2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
CID 25005711

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide (CID 143890535) is 6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide is Cc1ccc(Nc2[nH]c(=O)ncc2C(N)=O)cc1.
What is the InChIKey of 6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RIEXTVYZUBRRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-7-2-4-8(5-3-7)15-11-9(10(13)17)6-14-12(18)16-11/h2-6H,1H3,(H2,13,17)(H2,14,15,16,18).
What are the key properties of 6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide?
6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 143890535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).