2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide

C16H19ClN4O — CID 109312235

IUPAC2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
SMILESCCCCN(C)c1nccc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN4O/c1-3-4-11-21(2)16-18-10-9-14(20-16)15(22)19-13-7-5-12(17)6-8-13/h5-10H,3-4,11H2,1-2H3,(H,19,22)
InChIKeyYIRUHOXUHDNCTC-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.62
Rot. Bonds6

About 2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide

2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide (PubChem CID 109312235) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
PubChem CID109312235
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
SMILESCCCCN(C)c1nccc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN4O/c1-3-4-11-21(2)16-18-10-9-14(20-16)15(22)19-13-7-5-12(17)6-8-13/h5-10H,3-4,11H2,1-2H3,(H,19,22)
InChIKeyYIRUHOXUHDNCTC-UHFFFAOYSA-N
XLogP3.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109312894
2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109333535
2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304081
2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109333587
5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109288370
4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109217837
2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109310729
2-[benzyl(methyl)amino]-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305096
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312928
5-[butyl(methyl)amino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109288366
2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109094306

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide (CID 109312235) is 2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide is CCCCN(C)c1nccc(C(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is YIRUHOXUHDNCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-3-4-11-21(2)16-18-10-9-14(20-16)15(22)19-13-7-5-12(17)6-8-13/h5-10H,3-4,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.62, 6 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-(4-chlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).