2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide

C17H22N4O — CID 109247056

IUPAC2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)NC(C)C)cn1
InChIInChI=1S/C17H22N4O/c1-5-21(15-8-6-7-13(4)9-15)17-18-10-14(11-19-17)16(22)20-12(2)3/h6-12H,5H2,1-4H3,(H,20,22)
InChIKeySUGRXXDMMJGEHD-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.08
Rot. Bonds5

About 2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide

2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 109247056) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID109247056
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)NC(C)C)cn1
InChIInChI=1S/C17H22N4O/c1-5-21(15-8-6-7-13(4)9-15)17-18-10-14(11-19-17)16(22)20-12(2)3/h6-12H,5H2,1-4H3,(H,20,22)
InChIKeySUGRXXDMMJGEHD-UHFFFAOYSA-N
XLogP3.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-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-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256472
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268042
N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109252850
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269982
methyl 2-[[2-(N-ethyl-3-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270199
N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269032
2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256997
N-(3-chloro-4-methoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269318
1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113037388
N-(1,1-dioxothiolan-3-yl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109260839
N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109267707

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide (CID 109247056) is 2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide is CCN(c1cccc(C)c1)c1ncc(C(=O)NC(C)C)cn1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is SUGRXXDMMJGEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-5-21(15-8-6-7-13(4)9-15)17-18-10-14(11-19-17)16(22)20-12(2)3/h6-12H,5H2,1-4H3,(H,20,22).
What are the key properties of 2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide?
2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109247056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).