6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide

C18H24N4O2 — CID 109339848

IUPAC6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)NCCc2ccccc2OC)ncn1
InChIInChI=1S/C18H24N4O2/c1-3-4-10-19-17-12-15(21-13-22-17)18(23)20-11-9-14-7-5-6-8-16(14)24-2/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyWUGBZOOYIIUMCU-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.67
Rot. Bonds9

About 6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide

6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109339848) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109339848
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)NCCc2ccccc2OC)ncn1
InChIInChI=1S/C18H24N4O2/c1-3-4-10-19-17-12-15(21-13-22-17)18(23)20-11-9-14-7-5-6-8-16(14)24-2/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyWUGBZOOYIIUMCU-UHFFFAOYSA-N
XLogP2.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]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

6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
6-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351230
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109351170
6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348267
6-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350279
N-butan-2-yl-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340798
6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109350857
N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109214267
N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351185
6-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351274

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (CID 109339848) is 6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is CCCCNc1cc(C(=O)NCCc2ccccc2OC)ncn1.
What is the InChIKey of 6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is WUGBZOOYIIUMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-4-10-19-17-12-15(21-13-22-17)18(23)20-11-9-14-7-5-6-8-16(14)24-2/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of 6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109339848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).