4-hydroxy-2-pentyl-1H-pyrimidin-6-one

C9H14N2O2 — CID 70233802

IUPAC4-hydroxy-2-pentyl-1H-pyrimidin-6-one
SMILESCCCCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-7-10-8(12)6-9(13)11-7/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyICQDTVBLZPUBMJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.21
Rot. Bonds4

About 4-hydroxy-2-pentyl-1H-pyrimidin-6-one

4-hydroxy-2-pentyl-1H-pyrimidin-6-one (PubChem CID 70233802) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-hydroxy-2-pentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-pentyl-1H-pyrimidin-6-one
PubChem CID70233802
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-hydroxy-2-pentyl-1H-pyrimidin-6-one
SMILESCCCCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-7-10-8(12)6-9(13)11-7/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyICQDTVBLZPUBMJ-UHFFFAOYSA-N
XLogP1.21
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
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 4-hydroxy-2-pentyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-pentyl-1H-pyrimidin-6-one (CID 70233802) is 4-hydroxy-2-pentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-pentyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-pentyl-1H-pyrimidin-6-one is CCCCCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-pentyl-1H-pyrimidin-6-one?
The InChIKey is ICQDTVBLZPUBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-4-5-7-10-8(12)6-9(13)11-7/h6H,2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-pentyl-1H-pyrimidin-6-one?
4-hydroxy-2-pentyl-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-pentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 70233802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).