3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide

C14H15N3O3 — CID 95366506

IUPAC3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c(=O)n(C)c1=O)c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-9(10-6-4-3-5-7-10)16-12(18)11-8-15-14(20)17(2)13(11)19/h3-9H,1-2H3,(H,15,20)(H,16,18)/t9-/m1/s1
InChIKeyQGMPOWVGOVEKPN-SECBINFHSA-N
MW273.29 g/mol
LogP0.56
Rot. Bonds3

About 3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide

3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 95366506) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide
PubChem CID95366506
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c(=O)n(C)c1=O)c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-9(10-6-4-3-5-7-10)16-12(18)11-8-15-14(20)17(2)13(11)19/h3-9H,1-2H3,(H,15,20)(H,16,18)/t9-/m1/s1
InChIKeyQGMPOWVGOVEKPN-SECBINFHSA-N
XLogP0.56
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2,4-dioxo-N-(1-phenylethyl)-1H-pyrimidine-5-carboxamide
CID 56766080
N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025253
(2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 119360480
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004
N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025213
3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025257
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
1-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7619432
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
N-(1,3-benzothiazol-2-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025247

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide (CID 95366506) is 3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide is C[C@@H](NC(=O)c1c[nH]c(=O)n(C)c1=O)c1ccccc1.
What is the InChIKey of 3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is QGMPOWVGOVEKPN-SECBINFHSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(10-6-4-3-5-7-10)16-12(18)11-8-15-14(20)17(2)13(11)19/h3-9H,1-2H3,(H,15,20)(H,16,18)/t9-/m1/s1.
What are the key properties of 3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide?
3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.56, 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-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95366506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).