2,5-dipentyl-1H-pyrimidin-6-one

C14H24N2O — CID 174423087

IUPAC2,5-dipentyl-1H-pyrimidin-6-one
SMILESCCCCCc1ncc(CCCCC)c(=O)[nH]1
InChIInChI=1S/C14H24N2O/c1-3-5-7-9-12-11-15-13(16-14(12)17)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyLVMONQXGEMLJDD-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.24
Rot. Bonds8

About 2,5-dipentyl-1H-pyrimidin-6-one

2,5-dipentyl-1H-pyrimidin-6-one (PubChem CID 174423087) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,5-dipentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-dipentyl-1H-pyrimidin-6-one
PubChem CID174423087
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,5-dipentyl-1H-pyrimidin-6-one
SMILESCCCCCc1ncc(CCCCC)c(=O)[nH]1
InChIInChI=1S/C14H24N2O/c1-3-5-7-9-12-11-15-13(16-14(12)17)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyLVMONQXGEMLJDD-UHFFFAOYSA-N
XLogP3.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,5-dipentyl-1H-pyrimidin-6-one?
The IUPAC name of 2,5-dipentyl-1H-pyrimidin-6-one (CID 174423087) is 2,5-dipentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-dipentyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-dipentyl-1H-pyrimidin-6-one is CCCCCc1ncc(CCCCC)c(=O)[nH]1.
What is the InChIKey of 2,5-dipentyl-1H-pyrimidin-6-one?
The InChIKey is LVMONQXGEMLJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-7-9-12-11-15-13(16-14(12)17)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,15,16,17).
What are the key properties of 2,5-dipentyl-1H-pyrimidin-6-one?
2,5-dipentyl-1H-pyrimidin-6-one has a molecular weight of 236.36 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 174423087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).