6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide

C14H15N3O2 — CID 136666350

IUPAC6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(=O)[nH]cn2)c(C)c1
InChIInChI=1S/C14H15N3O2/c1-8-4-9(2)13(10(3)5-8)17-14(19)11-6-12(18)16-7-15-11/h4-7H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyMFYWAQVCTRBTIY-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.95
Rot. Bonds2

About 6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide

6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide (PubChem CID 136666350) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide
PubChem CID136666350
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(=O)[nH]cn2)c(C)c1
InChIInChI=1S/C14H15N3O2/c1-8-4-9(2)13(10(3)5-8)17-14(19)11-6-12(18)16-7-15-11/h4-7H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyMFYWAQVCTRBTIY-UHFFFAOYSA-N
XLogP1.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147318
N-(4-methyl-2-pyridinyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666385
N-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 170238020
N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147299
N-(2-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666365
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
N-(3-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136655098
4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109201591
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136599315
4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109218850
6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide
CID 136666349

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide (CID 136666350) is 6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide is Cc1cc(C)c(NC(=O)c2cc(=O)[nH]cn2)c(C)c1.
What is the InChIKey of 6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide?
The InChIKey is MFYWAQVCTRBTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-4-9(2)13(10(3)5-8)17-14(19)11-6-12(18)16-7-15-11/h4-7H,1-3H3,(H,17,19)(H,15,16,18).
What are the key properties of 6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide?
6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136666350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).