N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide

C23H26N4O — CID 109256544

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cnc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C23H26N4O/c1-15(2)20-12-8-9-16(3)21(20)27-22(28)19-13-24-23(25-14-19)26-17(4)18-10-6-5-7-11-18/h5-15,17H,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyMPYJRWNCZLBIBE-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.33
Rot. Bonds6

About N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109256544) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109256544
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cnc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C23H26N4O/c1-15(2)20-12-8-9-16(3)21(20)27-22(28)19-13-24-23(25-14-19)26-17(4)18-10-6-5-7-11-18/h5-15,17H,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyMPYJRWNCZLBIBE-UHFFFAOYSA-N
XLogP5.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-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

N-(2-methyl-6-propan-2-ylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247171
N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247161
2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268166
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256532
2-(furan-2-ylmethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255128
2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide
CID 109263050
N-(2-methyl-6-propan-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 109252269
N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256548
2-(3-chloro-4-fluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268147
N-(2-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268171

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide (CID 109256544) is N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cnc(NC(C)c2ccccc2)nc1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is MPYJRWNCZLBIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-15(2)20-12-8-9-16(3)21(20)27-22(28)19-13-24-23(25-14-19)26-17(4)18-10-6-5-7-11-18/h5-15,17H,1-4H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).