6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide

C20H23N5O — CID 112846997

IUPAC6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2cccc3cccnc23)nc(C)n1
InChIInChI=1S/C20H23N5O/c1-4-5-12-25(3)18-13-17(22-14(2)23-18)20(26)24-16-10-6-8-15-9-7-11-21-19(15)16/h6-11,13H,4-5,12H2,1-3H3,(H,24,26)
InChIKeyDHPFETOECJNDOV-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.82
Rot. Bonds6

About 6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide

6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 112846997) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID112846997
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2cccc3cccnc23)nc(C)n1
InChIInChI=1S/C20H23N5O/c1-4-5-12-25(3)18-13-17(22-14(2)23-18)20(26)24-16-10-6-8-15-9-7-11-21-19(15)16/h6-11,13H,4-5,12H2,1-3H3,(H,24,26)
InChIKeyDHPFETOECJNDOV-UHFFFAOYSA-N
XLogP3.82
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-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

2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109372303
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784
6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846999
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 112846986
6-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846968
2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109361326
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide
CID 109373972
5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180980

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 112846997) is 6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)Nc2cccc3cccnc23)nc(C)n1.
What is the InChIKey of 6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is DHPFETOECJNDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-5-12-25(3)18-13-17(22-14(2)23-18)20(26)24-16-10-6-8-15-9-7-11-21-19(15)16/h6-11,13H,4-5,12H2,1-3H3,(H,24,26).
What are the key properties of 6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112846997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).