N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide

C22H24N4O — CID 112851483

IUPACN-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)Nc1cc(C(=O)N(C)Cc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-16(2)23-20-14-19(24-21(25-20)18-12-8-5-9-13-18)22(27)26(3)15-17-10-6-4-7-11-17/h4-14,16H,15H2,1-3H3,(H,23,24,25)
InChIKeyOMINNHLTUPVOOX-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.24
Rot. Bonds6

About N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide

N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 112851483) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID112851483
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCC(C)Nc1cc(C(=O)N(C)Cc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-16(2)23-20-14-19(24-21(25-20)18-12-8-5-9-13-18)22(27)26(3)15-17-10-6-4-7-11-17/h4-14,16H,15H2,1-3H3,(H,23,24,25)
InChIKeyOMINNHLTUPVOOX-UHFFFAOYSA-N
XLogP4.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360400
N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112852236
N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851537
N-methyl-6-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 115498234
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851607
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595
6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852515
2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 82169881
6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 112854178
N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427540
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118695

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 112851483) is N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is CC(C)Nc1cc(C(=O)N(C)Cc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is OMINNHLTUPVOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16(2)23-20-14-19(24-21(25-20)18-12-8-5-9-13-18)22(27)26(3)15-17-10-6-4-7-11-17/h4-14,16H,15H2,1-3H3,(H,23,24,25).
What are the key properties of N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112851483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).