N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide

C19H24ClN3O2 — CID 46989159

IUPACN-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(Cc2ccccc2Cl)C(C)C)nc(=O)[nH]1
InChIInChI=1S/C19H24ClN3O2/c1-12(2)9-15-10-17(22-19(25)21-15)18(24)23(13(3)4)11-14-7-5-6-8-16(14)20/h5-8,10,12-13H,9,11H2,1-4H3,(H,21,22,25)
InChIKeyAFVGPSAAOJSSPM-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.67
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 46989159) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID46989159
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(Cc2ccccc2Cl)C(C)C)nc(=O)[nH]1
InChIInChI=1S/C19H24ClN3O2/c1-12(2)9-15-10-17(22-19(25)21-15)18(24)23(13(3)4)11-14-7-5-6-8-16(14)20/h5-8,10,12-13H,9,11H2,1-4H3,(H,21,22,25)
InChIKeyAFVGPSAAOJSSPM-UHFFFAOYSA-N
XLogP3.67
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide
CID 46990687
N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 91773250
2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144451
N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331871
6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one
CID 131906230
N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 131909946
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55740396
2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410
N-[(2-methylphenyl)methyl]-5-(phenoxymethyl)-N-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56755639
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 77088383
N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 78879649
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide
CID 1400292

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide (CID 46989159) is N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)N(Cc2ccccc2Cl)C(C)C)nc(=O)[nH]1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is AFVGPSAAOJSSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-12(2)9-15-10-17(22-19(25)21-15)18(24)23(13(3)4)11-14-7-5-6-8-16(14)20/h5-8,10,12-13H,9,11H2,1-4H3,(H,21,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 361.87 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-(2-methylpropyl)-2-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 46989159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).