1,4-dipentylpyrimidin-2-one

C14H24N2O — CID 66633363

IUPAC1,4-dipentylpyrimidin-2-one
SMILESCCCCCc1ccn(CCCCC)c(=O)n1
InChIInChI=1S/C14H24N2O/c1-3-5-7-9-13-10-12-16(14(17)15-13)11-8-6-4-2/h10,12H,3-9,11H2,1-2H3
InChIKeyUIKQYIMKWBXITO-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.17
Rot. Bonds8

About 1,4-dipentylpyrimidin-2-one

1,4-dipentylpyrimidin-2-one (PubChem CID 66633363) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,4-dipentylpyrimidin-2-one.

Molecular Properties

Compound Name1,4-dipentylpyrimidin-2-one
PubChem CID66633363
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1,4-dipentylpyrimidin-2-one
SMILESCCCCCc1ccn(CCCCC)c(=O)n1
InChIInChI=1S/C14H24N2O/c1-3-5-7-9-13-10-12-16(14(17)15-13)11-8-6-4-2/h10,12H,3-9,11H2,1-2H3
InChIKeyUIKQYIMKWBXITO-UHFFFAOYSA-N
XLogP3.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
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 1,4-dipentylpyrimidin-2-one?
The IUPAC name of 1,4-dipentylpyrimidin-2-one (CID 66633363) is 1,4-dipentylpyrimidin-2-one.
What is the SMILES notation for 1,4-dipentylpyrimidin-2-one?
The canonical SMILES for 1,4-dipentylpyrimidin-2-one is CCCCCc1ccn(CCCCC)c(=O)n1.
What is the InChIKey of 1,4-dipentylpyrimidin-2-one?
The InChIKey is UIKQYIMKWBXITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-7-9-13-10-12-16(14(17)15-13)11-8-6-4-2/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 1,4-dipentylpyrimidin-2-one?
1,4-dipentylpyrimidin-2-one has a molecular weight of 236.36 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipentylpyrimidin-2-one is sourced from PubChem (CID 66633363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).