6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide

C22H24N4O — CID 112851605

IUPAC6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)NC(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-15(2)24-22(27)19-13-20(23-14-17-11-9-16(3)10-12-17)26-21(25-19)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyILGIJVCLHGGNKH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.20
Rot. Bonds6

About 6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide

6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 112851605) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID112851605
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)NC(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-15(2)24-22(27)19-13-20(23-14-17-11-9-16(3)10-12-17)26-21(25-19)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyILGIJVCLHGGNKH-UHFFFAOYSA-N
XLogP4.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853999
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854002
6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852505
6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112853891
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851378
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 112851605) is 6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide is Cc1ccc(CNc2cc(C(=O)NC(C)C)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is ILGIJVCLHGGNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)24-22(27)19-13-20(23-14-17-11-9-16(3)10-12-17)26-21(25-19)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of 6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide?
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).