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

C18H24N4O — CID 109304081

IUPAC2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCCCN(C)c1nccc(C(=O)NCc2ccccc2C)n1
InChIInChI=1S/C18H24N4O/c1-4-5-12-22(3)18-19-11-10-16(21-18)17(23)20-13-15-9-7-6-8-14(15)2/h6-11H,4-5,12-13H2,1-3H3,(H,20,23)
InChIKeyZZLOYYJCUKEHCH-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.95
Rot. Bonds7

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

2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109304081) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109304081
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCCCN(C)c1nccc(C(=O)NCc2ccccc2C)n1
InChIInChI=1S/C18H24N4O/c1-4-5-12-22(3)18-19-11-10-16(21-18)17(23)20-13-15-9-7-6-8-14(15)2/h6-11H,4-5,12-13H2,1-3H3,(H,20,23)
InChIKeyZZLOYYJCUKEHCH-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

4-N-butyl-4-N-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085618
2-[butyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308623
2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889740
N-[3-(dimethylamino)propyl]-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109301859
2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109312235
4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079203
4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109085533
4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109207893
4-N-[(2-methylphenyl)methyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109085537
2-[butyl(methyl)amino]-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327703
2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304126
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109304081) is 2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is CCCCN(C)c1nccc(C(=O)NCc2ccccc2C)n1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is ZZLOYYJCUKEHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-5-12-22(3)18-19-11-10-16(21-18)17(23)20-13-15-9-7-6-8-14(15)2/h6-11H,4-5,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-[butyl(methyl)amino]-N-[(2-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 2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109304081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).