N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide

C17H20N4O — CID 109339321

IUPACN-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1cc(C(=O)NC2CC2)ncn1
InChIInChI=1S/C17H20N4O/c1-3-12-6-4-5-11(2)16(12)21-15-9-14(18-10-19-15)17(22)20-13-7-8-13/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyMLVGFZZDBDATOA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.98
Rot. Bonds5

About N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide

N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109339321) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
PubChem CID109339321
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1cc(C(=O)NC2CC2)ncn1
InChIInChI=1S/C17H20N4O/c1-3-12-6-4-5-11(2)16(12)21-15-9-14(18-10-19-15)17(22)20-13-7-8-13/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyMLVGFZZDBDATOA-UHFFFAOYSA-N
XLogP2.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-6-(2-ethyl-6-methylanilino)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

N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109339316
N-cyclopentyl-6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363342
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812
6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340481
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109344935
N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109339399
N-cyclopropyl-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109339410
N-cyclopropyl-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109179938
6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354537
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109339385
N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361061
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357545

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide (CID 109339321) is N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide is CCc1cccc(C)c1Nc1cc(C(=O)NC2CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is MLVGFZZDBDATOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-12-6-4-5-11(2)16(12)21-15-9-14(18-10-19-15)17(22)20-13-7-8-13/h4-6,9-10,13H,3,7-8H2,1-2H3,(H,20,22)(H,18,19,21).
What are the key properties of N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide?
N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).