4-(2-methylpropyl)pyrimidine-2-carboxamide

C9H13N3O — CID 59461687

IUPAC4-(2-methylpropyl)pyrimidine-2-carboxamide
SMILESCC(C)Cc1ccnc(C(N)=O)n1
InChIInChI=1S/C9H13N3O/c1-6(2)5-7-3-4-11-9(12-7)8(10)13/h3-4,6H,5H2,1-2H3,(H2,10,13)
InChIKeyCAJOKLMBBXFOQH-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.77
Rot. Bonds3

About 4-(2-methylpropyl)pyrimidine-2-carboxamide

4-(2-methylpropyl)pyrimidine-2-carboxamide (PubChem CID 59461687) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(2-methylpropyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropyl)pyrimidine-2-carboxamide
PubChem CID59461687
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-(2-methylpropyl)pyrimidine-2-carboxamide
SMILESCC(C)Cc1ccnc(C(N)=O)n1
InChIInChI=1S/C9H13N3O/c1-6(2)5-7-3-4-11-9(12-7)8(10)13/h3-4,6H,5H2,1-2H3,(H2,10,13)
InChIKeyCAJOKLMBBXFOQH-UHFFFAOYSA-N
XLogP0.77
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)pyrimidine-2-carboxamide?
The IUPAC name of 4-(2-methylpropyl)pyrimidine-2-carboxamide (CID 59461687) is 4-(2-methylpropyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(2-methylpropyl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-(2-methylpropyl)pyrimidine-2-carboxamide is CC(C)Cc1ccnc(C(N)=O)n1.
What is the InChIKey of 4-(2-methylpropyl)pyrimidine-2-carboxamide?
The InChIKey is CAJOKLMBBXFOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(2)5-7-3-4-11-9(12-7)8(10)13/h3-4,6H,5H2,1-2H3,(H2,10,13).
What are the key properties of 4-(2-methylpropyl)pyrimidine-2-carboxamide?
4-(2-methylpropyl)pyrimidine-2-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 59461687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).