4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one

C15H19N3O — CID 135435523

IUPAC4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCCCCCc1c(C)nc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C15H19N3O/c1-3-4-5-8-12-11(2)17-14(18-15(12)19)13-9-6-7-10-16-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18,19)
InChIKeyMLJHHQWERFIKII-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.87
Rot. Bonds5

About 4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one

4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 135435523) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID135435523
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCCCCCc1c(C)nc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C15H19N3O/c1-3-4-5-8-12-11(2)17-14(18-15(12)19)13-9-6-7-10-16-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18,19)
InChIKeyMLJHHQWERFIKII-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.87
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 4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 135435523) is 4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one is CCCCCc1c(C)nc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of 4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is MLJHHQWERFIKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-4-5-8-12-11(2)17-14(18-15(12)19)13-9-6-7-10-16-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 257.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pentyl-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135435523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).