N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

C21H21N3O2 — CID 92648710

IUPACN-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C21H21N3O2/c1-13(2)16-11-7-8-14(3)18(16)23-20(25)17-12-22-19(24-21(17)26)15-9-5-4-6-10-15/h4-13H,1-3H3,(H,23,25)(H,22,24,26)
InChIKeyJXZABVIZWGGSLU-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.12
Rot. Bonds4

About N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 92648710) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID92648710
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C21H21N3O2/c1-13(2)16-11-7-8-14(3)18(16)23-20(25)17-12-22-19(24-21(17)26)15-9-5-4-6-10-15/h4-13H,1-3H3,(H,23,25)(H,22,24,26)
InChIKeyJXZABVIZWGGSLU-UHFFFAOYSA-N
XLogP4.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648606
N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648629
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648612
N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648623
6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648652
N-(2-methyl-6-propan-2-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261863
2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786231
2-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 4106952
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726
3-hydrazinyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105071522
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (CID 92648710) is N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is JXZABVIZWGGSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13(2)16-11-7-8-14(3)18(16)23-20(25)17-12-22-19(24-21(17)26)15-9-5-4-6-10-15/h4-13H,1-3H3,(H,23,25)(H,22,24,26).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 92648710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).