N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide

C18H24N4O — CID 109263536

IUPACN-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(NCCC(C)C)nc2)cc1
InChIInChI=1S/C18H24N4O/c1-4-14-5-7-16(8-6-14)22-17(23)15-11-20-18(21-12-15)19-10-9-13(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyXYPRWCFGXRBNKZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.75
Rot. Bonds7

About N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide

N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide (PubChem CID 109263536) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
PubChem CID109263536
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(NCCC(C)C)nc2)cc1
InChIInChI=1S/C18H24N4O/c1-4-14-5-7-16(8-6-14)22-17(23)15-11-20-18(21-12-15)19-10-9-13(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyXYPRWCFGXRBNKZ-UHFFFAOYSA-N
XLogP3.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylphenyl)-2-(3-methylbutylamino)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-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109263592
2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263593
N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246773
2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109263588
2-(3-methylbutylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109263625
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 109263606
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109257600
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109248729
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248532

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide (CID 109263536) is N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide is CCc1ccc(NC(=O)c2cnc(NCCC(C)C)nc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide?
The InChIKey is XYPRWCFGXRBNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-14-5-7-16(8-6-14)22-17(23)15-11-20-18(21-12-15)19-10-9-13(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide?
N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).