4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide

C16H19N3O — CID 116897049

IUPAC4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccc(CC(C)C)cc2)nc(C(N)=O)n1
InChIInChI=1S/C16H19N3O/c1-10(2)8-12-4-6-13(7-5-12)14-9-11(3)18-16(19-14)15(17)20/h4-7,9-10H,8H2,1-3H3,(H2,17,20)
InChIKeyKJQYUQKYRZCIIK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.75
Rot. Bonds4

About 4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide

4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide (PubChem CID 116897049) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide
PubChem CID116897049
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccc(CC(C)C)cc2)nc(C(N)=O)n1
InChIInChI=1S/C16H19N3O/c1-10(2)8-12-4-6-13(7-5-12)14-9-11(3)18-16(19-14)15(17)20/h4-7,9-10H,8H2,1-3H3,(H2,17,20)
InChIKeyKJQYUQKYRZCIIK-UHFFFAOYSA-N
XLogP2.75
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158
4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide
CID 116897034
6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 1229845
4-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidine-2-carboxamide
CID 116897045
2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 2759386
ethyl 3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylate
CID 75357945
5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
CID 143746738
4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine
CID 70659256
2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510621
4-(4-ethylphenyl)pyrimidine-2-carboxamide
CID 116903987
1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892467
5-ethyl-4-methyl-2-[4-(2-methylpropyl)phenyl]pyridine
CID 163857972

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide (CID 116897049) is 4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide is Cc1cc(-c2ccc(CC(C)C)cc2)nc(C(N)=O)n1.
What is the InChIKey of 4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide?
The InChIKey is KJQYUQKYRZCIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10(2)8-12-4-6-13(7-5-12)14-9-11(3)18-16(19-14)15(17)20/h4-7,9-10H,8H2,1-3H3,(H2,17,20).
What are the key properties of 4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide?
4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(2-methylpropyl)phenyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 116897049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).