3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide

C15H17N3O3 — CID 121025257

IUPAC3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c[nH]c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H17N3O3/c1-9(2)10-4-6-11(7-5-10)17-13(19)12-8-16-15(21)18(3)14(12)20/h4-9H,1-3H3,(H,16,21)(H,17,19)
InChIKeyJJWGKWAPGXTXCR-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.45
Rot. Bonds3

About 3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide

3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide (PubChem CID 121025257) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
PubChem CID121025257
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c[nH]c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H17N3O3/c1-9(2)10-4-6-11(7-5-10)17-13(19)12-8-16-15(21)18(3)14(12)20/h4-9H,1-3H3,(H,16,21)(H,17,19)
InChIKeyJJWGKWAPGXTXCR-UHFFFAOYSA-N
XLogP1.45
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 3473471
N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025230
3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide
CID 95366506
N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 130708433
N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025253
(S)-amino-methyl-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 59964740
N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025290
N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 56766087
(S)-[(2-chloroacetyl)amino]-methyl-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 59964753
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62235993
methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848812

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide (CID 121025257) is 3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide is CC(C)c1ccc(NC(=O)c2c[nH]c(=O)n(C)c2=O)cc1.
What is the InChIKey of 3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is JJWGKWAPGXTXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(2)10-4-6-11(7-5-10)17-13(19)12-8-16-15(21)18(3)14(12)20/h4-9H,1-3H3,(H,16,21)(H,17,19).
What are the key properties of 3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).