1,2-dipentyl-4,5-dihydropyrimidin-6-one

C14H26N2O — CID 67704553

IUPAC1,2-dipentyl-4,5-dihydropyrimidin-6-one
SMILESCCCCCC1=NCCC(=O)N1CCCCC
InChIInChI=1S/C14H26N2O/c1-3-5-7-9-13-15-11-10-14(17)16(13)12-8-6-4-2/h3-12H2,1-2H3
InChIKeyDKFQTOUBCNTTKY-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.39
Rot. Bonds8

About 1,2-dipentyl-4,5-dihydropyrimidin-6-one

1,2-dipentyl-4,5-dihydropyrimidin-6-one (PubChem CID 67704553) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,2-dipentyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name1,2-dipentyl-4,5-dihydropyrimidin-6-one
PubChem CID67704553
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1,2-dipentyl-4,5-dihydropyrimidin-6-one
SMILESCCCCCC1=NCCC(=O)N1CCCCC
InChIInChI=1S/C14H26N2O/c1-3-5-7-9-13-15-11-10-14(17)16(13)12-8-6-4-2/h3-12H2,1-2H3
InChIKeyDKFQTOUBCNTTKY-UHFFFAOYSA-N
XLogP3.39
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
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 1,2-dipentyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 1,2-dipentyl-4,5-dihydropyrimidin-6-one (CID 67704553) is 1,2-dipentyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 1,2-dipentyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 1,2-dipentyl-4,5-dihydropyrimidin-6-one is CCCCCC1=NCCC(=O)N1CCCCC.
What is the InChIKey of 1,2-dipentyl-4,5-dihydropyrimidin-6-one?
The InChIKey is DKFQTOUBCNTTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-5-7-9-13-15-11-10-14(17)16(13)12-8-6-4-2/h3-12H2,1-2H3.
What are the key properties of 1,2-dipentyl-4,5-dihydropyrimidin-6-one?
1,2-dipentyl-4,5-dihydropyrimidin-6-one has a molecular weight of 238.37 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipentyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 67704553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).