2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide

C20H19ClN4O — CID 109256422

IUPAC2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NC(C)c3ccccc3)cn2)cc1Cl
InChIInChI=1S/C20H19ClN4O/c1-13-8-9-17(10-18(13)21)25-20-22-11-16(12-23-20)19(26)24-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyLTYQELCJLMLJEY-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.67
Rot. Bonds5

About 2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide

2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109256422) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109256422
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NC(C)c3ccccc3)cn2)cc1Cl
InChIInChI=1S/C20H19ClN4O/c1-13-8-9-17(10-18(13)21)25-20-22-11-16(12-23-20)19(26)24-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyLTYQELCJLMLJEY-UHFFFAOYSA-N
XLogP4.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)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

2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246985
2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256475
2-(3-chloro-4-methylanilino)pyrimidine-5-carboxylic acid
CID 82303474
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109256409
2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259447
ethyl 4-[[5-(1-phenylethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109256458
2-(3-chloro-4-methylanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268328
2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257443
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methylanilino)pyrimidine-5-carboxamide
CID 109269179
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109269177
5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232865

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide (CID 109256422) is 2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)NC(C)c3ccccc3)cn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is LTYQELCJLMLJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-8-9-17(10-18(13)21)25-20-22-11-16(12-23-20)19(26)24-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).