6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

C18H24N4O — CID 109347424

IUPAC6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCc2ccc(C)cc2)ncn1
InChIInChI=1S/C18H24N4O/c1-4-5-10-22(3)17-11-16(20-13-21-17)18(23)19-12-15-8-6-14(2)7-9-15/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,19,23)
InChIKeyJQCJDXWKYRHXPJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.95
Rot. Bonds7

About 6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109347424) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109347424
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCc2ccc(C)cc2)ncn1
InChIInChI=1S/C18H24N4O/c1-4-5-10-22(3)17-11-16(20-13-21-17)18(23)19-12-15-8-6-14(2)7-9-15/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,19,23)
InChIKeyJQCJDXWKYRHXPJ-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide
CID 109338516
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348168
6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350562
6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109354637
6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370437
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162
4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211411
N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
CID 109117888
6-[butyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109372834
6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369048
6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109339048

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109347424) is 6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)NCc2ccc(C)cc2)ncn1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is JQCJDXWKYRHXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-5-10-22(3)17-11-16(20-13-21-17)18(23)19-12-15-8-6-14(2)7-9-15/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,19,23).
What are the key properties of 6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109347424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).