2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide

C21H22N4O — CID 109255447

IUPAC2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C21H22N4O/c1-15(2)17-8-10-19(11-9-17)25-20(26)18-13-23-21(24-14-18)22-12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyFGZNCRNBXMNOEI-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.46
Rot. Bonds6

About 2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide

2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109255447) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109255447
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2)cc1
InChIInChI=1S/C21H22N4O/c1-15(2)17-8-10-19(11-9-17)25-20(26)18-13-23-21(24-14-18)22-12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyFGZNCRNBXMNOEI-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109248729
methyl 4-[[2-(benzylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109255488
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246773
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257924
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109255502
2-(benzylamino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109255462
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide (CID 109255447) is 2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide is CC(C)c1ccc(NC(=O)c2cnc(NCc3ccccc3)nc2)cc1.
What is the InChIKey of 2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is FGZNCRNBXMNOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15(2)17-8-10-19(11-9-17)25-20(26)18-13-23-21(24-14-18)22-12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide?
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).