3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one

C12H20N2O2 — CID 107705108

IUPAC3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCCCCO)c(C)n1
InChIInChI=1S/C12H20N2O2/c1-10-9-12(16)14(11(2)13-10)7-5-3-4-6-8-15/h9,15H,3-8H2,1-2H3
InChIKeyIVEQGNLWGCSCSD-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.41
Rot. Bonds6

About 3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one

3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 107705108) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one
PubChem CID107705108
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCCCCCO)c(C)n1
InChIInChI=1S/C12H20N2O2/c1-10-9-12(16)14(11(2)13-10)7-5-3-4-6-8-15/h9,15H,3-8H2,1-2H3
InChIKeyIVEQGNLWGCSCSD-UHFFFAOYSA-N
XLogP1.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-Hydroxyhexyl)-6-methylpyrimidin-4-one
CID 61943177
3-(4-Hydroxypentyl)-6-methylpyrimidin-4-one
CID 61943178
3-(2-Hydroxypentyl)-6-methylpyrimidin-4-one
CID 62043889
3-(5-Hydroxypentyl)-6-methylpyrimidin-4-one
CID 62229000
3-(2-Hydroxypentyl)-2,6-dimethylpyrimidin-4-one
CID 63769031
3-(3-Hydroxybutyl)-2,6-dimethylpyrimidin-4-one
CID 63769038
3-(4-Hydroxypentyl)-2,6-dimethylpyrimidin-4-one
CID 63769040
3-(3-Hydroxypropyl)-2,6-dimethylpyrimidin-4-one
CID 63769735
3-(4-Hydroxybutyl)-2,6-dimethylpyrimidin-4-one
CID 63769737
3-(2-Hydroxybutyl)-2,6-dimethylpyrimidin-4-one
CID 63769738
3-(5-Hydroxypentyl)-2,6-dimethylpyrimidin-4-one
CID 63769897
3-(5-Hydroxyhexyl)-2,6-dimethylpyrimidin-4-one
CID 63770600

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one (CID 107705108) is 3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CCCCCCO)c(C)n1.
What is the InChIKey of 3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is IVEQGNLWGCSCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-9-12(16)14(11(2)13-10)7-5-3-4-6-8-15/h9,15H,3-8H2,1-2H3.
What are the key properties of 3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one?
3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 224.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyhexyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 107705108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).