N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide

C19H26N4O2 — CID 109351358

IUPACN-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(NCCC(C)C)ncn2)c1
InChIInChI=1S/C19H26N4O2/c1-14(2)7-9-20-18-12-17(22-13-23-18)19(24)21-10-8-15-5-4-6-16(11-15)25-3/h4-6,11-14H,7-10H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyOPVZDAOSIAELKR-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.92
Rot. Bonds9

About N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109351358) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109351358
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(NCCC(C)C)ncn2)c1
InChIInChI=1S/C19H26N4O2/c1-14(2)7-9-20-18-12-17(22-13-23-18)19(24)21-10-8-15-5-4-6-16(11-15)25-3/h4-6,11-14H,7-10H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyOPVZDAOSIAELKR-UHFFFAOYSA-N
XLogP2.92
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)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-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340422
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350844
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949
N-[2-(4-fluorophenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351098
6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109351367
6-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109351304
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109351302
6-(3-methylbutylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352290

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109351358) is N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide is COc1cccc(CCNC(=O)c2cc(NCCC(C)C)ncn2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is OPVZDAOSIAELKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)7-9-20-18-12-17(22-13-23-18)19(24)21-10-8-15-5-4-6-16(11-15)25-3/h4-6,11-14H,7-10H2,1-3H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109351358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).