N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

C22H24N4O — CID 109307912

IUPACN-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(C)c1ccc(Nc2nccc(C(=O)NCCc3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-16(2)18-8-10-19(11-9-18)25-22-24-15-13-20(26-22)21(27)23-14-12-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyZNERZQNUMIRGKJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.32
Rot. Bonds7

About N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109307912) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109307912
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCC(C)c1ccc(Nc2nccc(C(=O)NCCc3ccccc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-16(2)18-8-10-19(11-9-18)25-22-24-15-13-20(26-22)21(27)23-14-12-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyZNERZQNUMIRGKJ-UHFFFAOYSA-N
XLogP4.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307965
2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109313129
2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307886
N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109313154
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
N-tert-butyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109311338
2-(4-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316132
2-(2,5-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307967
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109299630
2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309818

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109307912) is N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is CC(C)c1ccc(Nc2nccc(C(=O)NCCc3ccccc3)n2)cc1.
What is the InChIKey of N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is ZNERZQNUMIRGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16(2)18-8-10-19(11-9-18)25-22-24-15-13-20(26-22)21(27)23-14-12-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).