2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide

C17H22N4O2 — CID 109249139

IUPAC2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(NC(C)CC)nc2)cc1
InChIInChI=1S/C17H22N4O2/c1-4-12(3)20-17-18-10-13(11-19-17)16(22)21-14-6-8-15(9-7-14)23-5-2/h6-12H,4-5H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyJTHYNEZMSMVLKR-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.34
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide

2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109249139) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109249139
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(NC(C)CC)nc2)cc1
InChIInChI=1S/C17H22N4O2/c1-4-12(3)20-17-18-10-13(11-19-17)16(22)21-14-6-8-15(9-7-14)23-5-2/h6-12H,4-5H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyJTHYNEZMSMVLKR-UHFFFAOYSA-N
XLogP3.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)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-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109297209
N-(3-acetylphenyl)-2-(butan-2-ylamino)pyrimidine-5-carboxamide
CID 109249149
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109249144
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249147
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258753
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247206
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109261471
N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
CID 112980466
2-(tert-butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109263016

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide (CID 109249139) is 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide is CCOc1ccc(NC(=O)c2cnc(NC(C)CC)nc2)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is JTHYNEZMSMVLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-12(3)20-17-18-10-13(11-19-17)16(22)21-14-6-8-15(9-7-14)23-5-2/h6-12H,4-5H2,1-3H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109249139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).