6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide

C22H24N4O — CID 112851607

IUPAC6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(N(C)Cc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-16(2)23-22(27)19-14-20(26(3)15-17-10-6-4-7-11-17)25-21(24-19)18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3,(H,23,27)
InChIKeyCSNIMPIBGGZTJB-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.92
Rot. Bonds6

About 6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide

6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 112851607) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID112851607
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(N(C)Cc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-16(2)23-22(27)19-14-20(26(3)15-17-10-6-4-7-11-17)25-21(24-19)18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3,(H,23,27)
InChIKeyCSNIMPIBGGZTJB-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(N-methylanilino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851649
2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319475
N-butan-2-yl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852599
N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605
6-[benzyl(ethyl)amino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853212
N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851483
6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
CID 82299929
N-tert-butyl-6-(N-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112854326
4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112880706

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 112851607) is 6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)NC(=O)c1cc(N(C)Cc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is CSNIMPIBGGZTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16(2)23-22(27)19-14-20(26(3)15-17-10-6-4-7-11-17)25-21(24-19)18-12-8-5-9-13-18/h4-14,16H,15H2,1-3H3,(H,23,27).
What are the key properties of 6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).