N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C19H17N3O3 — CID 121025253

IUPACN-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NC(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C19H17N3O3/c1-22-18(24)15(12-20-19(22)25)17(23)21-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,20,25)(H,21,23)
InChIKeyYHMUURIUTKAKJF-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.59
Rot. Bonds4

About N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121025253) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121025253
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NC(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C19H17N3O3/c1-22-18(24)15(12-20-19(22)25)17(23)21-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,20,25)(H,21,23)
InChIKeyYHMUURIUTKAKJF-UHFFFAOYSA-N
XLogP1.59
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide
CID 95366506
3-methyl-2,4-dioxo-N-(1-phenylethyl)-1H-pyrimidine-5-carboxamide
CID 56766080
(2S)-3-methyl-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 119360480
N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025213
N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 130708433
3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025257
N-benzhydryl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619434
N-(1,3-benzothiazol-2-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025247
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004
N-benzhydryl-2-iodobenzamide
CID 2255693
methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848812
N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025290

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121025253) is N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)NC(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YHMUURIUTKAKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-22-18(24)15(12-20-19(22)25)17(23)21-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16H,1H3,(H,20,25)(H,21,23).
What are the key properties of N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).