4-pentyl-3,4-dihydro-1H-pyrimidin-2-one

C9H16N2O — CID 66734873

IUPAC4-pentyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCCCCC1C=CNC(=O)N1
InChIInChI=1S/C9H16N2O/c1-2-3-4-5-8-6-7-10-9(12)11-8/h6-8H,2-5H2,1H3,(H2,10,11,12)
InChIKeySMUYNDNFYFXLAL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.76
Rot. Bonds4

About 4-pentyl-3,4-dihydro-1H-pyrimidin-2-one

4-pentyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 66734873) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-pentyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-pentyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID66734873
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-pentyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCCCCC1C=CNC(=O)N1
InChIInChI=1S/C9H16N2O/c1-2-3-4-5-8-6-7-10-9(12)11-8/h6-8H,2-5H2,1H3,(H2,10,11,12)
InChIKeySMUYNDNFYFXLAL-UHFFFAOYSA-N
XLogP1.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
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 4-pentyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-pentyl-3,4-dihydro-1H-pyrimidin-2-one (CID 66734873) is 4-pentyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-pentyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-pentyl-3,4-dihydro-1H-pyrimidin-2-one is CCCCCC1C=CNC(=O)N1.
What is the InChIKey of 4-pentyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is SMUYNDNFYFXLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-3-4-5-8-6-7-10-9(12)11-8/h6-8H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 4-pentyl-3,4-dihydro-1H-pyrimidin-2-one?
4-pentyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 66734873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).