2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide

C19H25ClN4O — CID 109331713

IUPAC2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1nc(C)cc(C(=O)NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H25ClN4O/c1-4-5-12-24(3)19-22-14(2)13-17(23-19)18(25)21-11-10-15-6-8-16(20)9-7-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,25)
InChIKeyQRPXBJCGAQBCGY-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.65
Rot. Bonds8

About 2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide

2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109331713) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109331713
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1nc(C)cc(C(=O)NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H25ClN4O/c1-4-5-12-24(3)19-22-14(2)13-17(23-19)18(25)21-11-10-15-6-8-16(20)9-7-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,25)
InChIKeyQRPXBJCGAQBCGY-UHFFFAOYSA-N
XLogP3.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328240
2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330461
2-[butyl(methyl)amino]-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327703
2-(diethylamino)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyrimidine-4-carboxamide
CID 56731093
2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109333535
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328218
N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109332729
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322300
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326041
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323895
5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109106596

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109331713) is 2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide is CCCCN(C)c1nc(C)cc(C(=O)NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is QRPXBJCGAQBCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-4-5-12-24(3)19-22-14(2)13-17(23-19)18(25)21-11-10-15-6-8-16(20)9-7-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,25).
What are the key properties of 2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109331713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).