6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide

C18H24N4O — CID 109354637

IUPAC6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2ccc(C)cc2C)ncn1
InChIInChI=1S/C18H24N4O/c1-5-6-9-22(4)17-11-16(19-12-20-17)18(23)21-15-8-7-13(2)10-14(15)3/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,23)
InChIKeyHITKIFOIJLXKFO-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.58
Rot. Bonds6

About 6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide

6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109354637) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109354637
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2ccc(C)cc2C)ncn1
InChIInChI=1S/C18H24N4O/c1-5-6-9-22(4)17-11-16(19-12-20-17)18(23)21-15-8-7-13(2)10-14(15)3/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,23)
InChIKeyHITKIFOIJLXKFO-UHFFFAOYSA-N
XLogP3.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347424
6-[butyl(methyl)amino]-N-propylpyrimidine-4-carboxamide
CID 109338516
N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109351589
N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353355
6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864264
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350562
4-N-butyl-1-N-(2,4-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048810
N-(2-bromo-4-methylphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354489
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348168
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide (CID 109354637) is 6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)Nc2ccc(C)cc2C)ncn1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is HITKIFOIJLXKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-6-9-22(4)17-11-16(19-12-20-17)18(23)21-15-8-7-13(2)10-14(15)3/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,23).
What are the key properties of 6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.58, 6 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-(2,4-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109354637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).