3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide

C13H15N3O2 — CID 12924230

IUPAC3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(N)=O)C(c2ccccc2)NC(=O)N1C
InChIInChI=1S/C13H15N3O2/c1-8-10(12(14)17)11(15-13(18)16(8)2)9-6-4-3-5-7-9/h3-7,11H,1-2H3,(H2,14,17)(H,15,18)
InChIKeyNATKKMFLPZZDBK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.14
Rot. Bonds2

About 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide

3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 12924230) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide
PubChem CID12924230
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(N)=O)C(c2ccccc2)NC(=O)N1C
InChIInChI=1S/C13H15N3O2/c1-8-10(12(14)17)11(15-13(18)16(8)2)9-6-4-3-5-7-9/h3-7,11H,1-2H3,(H2,14,17)(H,15,18)
InChIKeyNATKKMFLPZZDBK-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
tert-butyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 2729461
2-methoxyethyl (6S)-3,4-dimethyl-2-oxo-6-(4-phenylphenyl)-1,6-dihydropyrimidine-5-carboxylate
CID 9449409
3,4-dimethyl-5-nitro-6-phenyl-1,6-dihydropyrimidin-2-one
CID 2831696
(6R)-3,4-dimethyl-5-nitro-6-phenyl-1,6-dihydropyrimidin-2-one
CID 746944
benzyl (6R)-3,4-dimethyl-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 1038416
N,N,3,4-tetramethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 18079465
ethyl (6R)-6-(3-fluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694277
ethyl (6S)-3,4-dimethyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate
CID 40553101
ethyl (6R)-4-(diethylaminomethyl)-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 671870
methyl 6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2855527
methyl (6S)-6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 803222

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide (CID 12924230) is 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide is CC1=C(C(N)=O)C(c2ccccc2)NC(=O)N1C.
What is the InChIKey of 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is NATKKMFLPZZDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-10(12(14)17)11(15-13(18)16(8)2)9-6-4-3-5-7-9/h3-7,11H,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide?
3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 12924230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).