3,6-dipentyl-1,6-dihydropyrimidin-2-one

C14H26N2O — CID 66633362

IUPAC3,6-dipentyl-1,6-dihydropyrimidin-2-one
SMILESCCCCCC1C=CN(CCCCC)C(=O)N1
InChIInChI=1S/C14H26N2O/c1-3-5-7-9-13-10-12-16(14(17)15-13)11-8-6-4-2/h10,12-13H,3-9,11H2,1-2H3,(H,15,17)
InChIKeyMNVYYEJEPFQVMD-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.66
Rot. Bonds8

About 3,6-dipentyl-1,6-dihydropyrimidin-2-one

3,6-dipentyl-1,6-dihydropyrimidin-2-one (PubChem CID 66633362) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3,6-dipentyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3,6-dipentyl-1,6-dihydropyrimidin-2-one
PubChem CID66633362
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3,6-dipentyl-1,6-dihydropyrimidin-2-one
SMILESCCCCCC1C=CN(CCCCC)C(=O)N1
InChIInChI=1S/C14H26N2O/c1-3-5-7-9-13-10-12-16(14(17)15-13)11-8-6-4-2/h10,12-13H,3-9,11H2,1-2H3,(H,15,17)
InChIKeyMNVYYEJEPFQVMD-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,6-dipentyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of 3,6-dipentyl-1,6-dihydropyrimidin-2-one (CID 66633362) is 3,6-dipentyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 3,6-dipentyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 3,6-dipentyl-1,6-dihydropyrimidin-2-one is CCCCCC1C=CN(CCCCC)C(=O)N1.
What is the InChIKey of 3,6-dipentyl-1,6-dihydropyrimidin-2-one?
The InChIKey is MNVYYEJEPFQVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-5-7-9-13-10-12-16(14(17)15-13)11-8-6-4-2/h10,12-13H,3-9,11H2,1-2H3,(H,15,17).
What are the key properties of 3,6-dipentyl-1,6-dihydropyrimidin-2-one?
3,6-dipentyl-1,6-dihydropyrimidin-2-one has a molecular weight of 238.37 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dipentyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 66633362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).