N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide

C22H24N4O — CID 109255870

IUPACN-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(Nc3ccc(C(C)C)cc3)nc2)c1
InChIInChI=1S/C22H24N4O/c1-15(2)18-7-9-20(10-8-18)26-22-24-13-19(14-25-22)21(27)23-12-17-6-4-5-16(3)11-17/h4-11,13-15H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyBKXLFQDVEHCMCZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.58
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide

N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109255870) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
PubChem CID109255870
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cnc(Nc3ccc(C(C)C)cc3)nc2)c1
InChIInChI=1S/C22H24N4O/c1-15(2)18-7-9-20(10-8-18)26-22-24-13-19(14-25-22)21(27)23-12-17-6-4-5-16(3)11-17/h4-11,13-15H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyBKXLFQDVEHCMCZ-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)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-[(3-methylphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109255805
2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255853
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
2-(2,4-dichloroanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255924
2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246574
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257822
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256149
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109266917

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109255870) is N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide is Cc1cccc(CNC(=O)c2cnc(Nc3ccc(C(C)C)cc3)nc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is BKXLFQDVEHCMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)18-7-9-20(10-8-18)26-22-24-13-19(14-25-22)21(27)23-12-17-6-4-5-16(3)11-17/h4-11,13-15H,12H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).