1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one

C11H18N2O2 — CID 62228806

IUPAC1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCCCCO)c(=O)n1
InChIInChI=1S/C11H18N2O2/c1-9-8-10(2)13(11(15)12-9)6-4-3-5-7-14/h8,14H,3-7H2,1-2H3
InChIKeyFPOXMMBEKHINDC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.02
Rot. Bonds5

About 1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one

1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one (PubChem CID 62228806) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one
PubChem CID62228806
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCCCCO)c(=O)n1
InChIInChI=1S/C11H18N2O2/c1-9-8-10(2)13(11(15)12-9)6-4-3-5-7-14/h8,14H,3-7H2,1-2H3
InChIKeyFPOXMMBEKHINDC-UHFFFAOYSA-N
XLogP1.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one (CID 62228806) is 1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CCCCCO)c(=O)n1.
What is the InChIKey of 1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one?
The InChIKey is FPOXMMBEKHINDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-8-10(2)13(11(15)12-9)6-4-3-5-7-14/h8,14H,3-7H2,1-2H3.
What are the key properties of 1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one?
1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 62228806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).