N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide

C22H24N4O — CID 112852390

IUPACN-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCC(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-15(2)14-23-20-13-19(22(27)24-18-11-9-16(3)10-12-18)25-21(26-20)17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyAMWPQMBONDGDDV-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.77
Rot. Bonds6

About N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide

N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852390) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112852390
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCC(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-15(2)14-23-20-13-19(22(27)24-18-11-9-16(3)10-12-18)25-21(26-20)17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyAMWPQMBONDGDDV-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852404
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362017
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853553
methyl 4-[[2-phenyl-6-(propylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 112851328
2-phenyl-N-(4-propan-2-yloxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852058
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023
N-(3-chloro-4-methylphenyl)-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852047
6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854283

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide (CID 112852390) is N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NCC(C)C)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is AMWPQMBONDGDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)14-23-20-13-19(22(27)24-18-11-9-16(3)10-12-18)25-21(26-20)17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide?
N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).