N-(4-methylpentyl)pyrimidine-4-carboxamide

C11H17N3O — CID 134570493

IUPACN-(4-methylpentyl)pyrimidine-4-carboxamide
SMILESCC(C)CCCNC(=O)c1ccncn1
InChIInChI=1S/C11H17N3O/c1-9(2)4-3-6-13-11(15)10-5-7-12-8-14-10/h5,7-9H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyJGTBVNVIHXOIMJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.64
Rot. Bonds5

About N-(4-methylpentyl)pyrimidine-4-carboxamide

N-(4-methylpentyl)pyrimidine-4-carboxamide (PubChem CID 134570493) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(4-methylpentyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentyl)pyrimidine-4-carboxamide
PubChem CID134570493
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(4-methylpentyl)pyrimidine-4-carboxamide
SMILESCC(C)CCCNC(=O)c1ccncn1
InChIInChI=1S/C11H17N3O/c1-9(2)4-3-6-13-11(15)10-5-7-12-8-14-10/h5,7-9H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyJGTBVNVIHXOIMJ-UHFFFAOYSA-N
XLogP1.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methylpentyl)pyrimidine-4-carboxamide (CID 134570493) is N-(4-methylpentyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methylpentyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methylpentyl)pyrimidine-4-carboxamide is CC(C)CCCNC(=O)c1ccncn1.
What is the InChIKey of N-(4-methylpentyl)pyrimidine-4-carboxamide?
The InChIKey is JGTBVNVIHXOIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(2)4-3-6-13-11(15)10-5-7-12-8-14-10/h5,7-9H,3-4,6H2,1-2H3,(H,13,15).
What are the key properties of N-(4-methylpentyl)pyrimidine-4-carboxamide?
N-(4-methylpentyl)pyrimidine-4-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 134570493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).