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

C21H22N4O — CID 112851525

IUPACN-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-14(2)22-19-13-18(21(26)23-17-11-9-15(3)10-12-17)24-20(25-19)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyALCOARWDGJNLNJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.52
Rot. Bonds5

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

N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 112851525) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID112851525
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-14(2)22-19-13-18(21(26)23-17-11-9-15(3)10-12-17)24-20(25-19)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyALCOARWDGJNLNJ-UHFFFAOYSA-N
XLogP4.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
6-(butan-2-ylamino)-N-(4-ethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852541
N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853553
2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112851568
2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 82169881
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605
N-[4-(dimethylamino)phenyl]-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852404
6-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112852505
6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854283
2-phenyl-N-(4-propan-2-yloxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852058

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 112851525) is N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NC(C)C)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is ALCOARWDGJNLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14(2)22-19-13-18(21(26)23-17-11-9-15(3)10-12-17)24-20(25-19)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112851525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).