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

C11H18N2O2 — CID 127044143

IUPAC2-heptyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCCCCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C11H18N2O2/c1-2-3-4-5-6-7-9-12-10(14)8-11(15)13-9/h8H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyPIZZYTFFGVZGFW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.99
Rot. Bonds6

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

2-heptyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 127044143) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-heptyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-heptyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID127044143
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-heptyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCCCCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C11H18N2O2/c1-2-3-4-5-6-7-9-12-10(14)8-11(15)13-9/h8H,2-7H2,1H3,(H2,12,13,14,15)
InChIKeyPIZZYTFFGVZGFW-UHFFFAOYSA-N
XLogP1.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.99
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 2-heptyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-heptyl-4-hydroxy-1H-pyrimidin-6-one (CID 127044143) is 2-heptyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-heptyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-heptyl-4-hydroxy-1H-pyrimidin-6-one is CCCCCCCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-heptyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is PIZZYTFFGVZGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-3-4-5-6-7-9-12-10(14)8-11(15)13-9/h8H,2-7H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-heptyl-4-hydroxy-1H-pyrimidin-6-one?
2-heptyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 127044143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).