N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide

C21H21ClN4O — CID 109269032

IUPACN-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)Nc2cc(Cl)ccc2C)cn1
InChIInChI=1S/C21H21ClN4O/c1-4-26(18-7-5-6-14(2)10-18)21-23-12-16(13-24-21)20(27)25-19-11-17(22)9-8-15(19)3/h5-13H,4H2,1-3H3,(H,25,27)
InChIKeyOTSPVAMRCCAZPV-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.16
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide

N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109269032) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
PubChem CID109269032
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)Nc2cc(Cl)ccc2C)cn1
InChIInChI=1S/C21H21ClN4O/c1-4-26(18-7-5-6-14(2)10-18)21-23-12-16(13-24-21)20(27)25-19-11-17(22)9-8-15(19)3/h5-13H,4H2,1-3H3,(H,25,27)
InChIKeyOTSPVAMRCCAZPV-UHFFFAOYSA-N
XLogP5.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)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-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268042
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
methyl 2-[[2-(N-ethyl-3-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270199
N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109266377
2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109247056
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258482
N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109252850
N-(3-chloro-4-methoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269318
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269982
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256997
N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262569

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide (CID 109269032) is N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide is CCN(c1cccc(C)c1)c1ncc(C(=O)Nc2cc(Cl)ccc2C)cn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is OTSPVAMRCCAZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-4-26(18-7-5-6-14(2)10-18)21-23-12-16(13-24-21)20(27)25-19-11-17(22)9-8-15(19)3/h5-13H,4H2,1-3H3,(H,25,27).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide?
N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).