3-(4-hydroxyhexyl)pyrimidin-4-one

C10H16N2O2 — CID 106802562

IUPAC3-(4-hydroxyhexyl)pyrimidin-4-one
SMILESCCC(O)CCCn1cnccc1=O
InChIInChI=1S/C10H16N2O2/c1-2-9(13)4-3-7-12-8-11-6-5-10(12)14/h5-6,8-9,13H,2-4,7H2,1H3
InChIKeyPVMWJDLWUICEAD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.79
Rot. Bonds5

About 3-(4-hydroxyhexyl)pyrimidin-4-one

3-(4-hydroxyhexyl)pyrimidin-4-one (PubChem CID 106802562) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(4-hydroxyhexyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-hydroxyhexyl)pyrimidin-4-one
PubChem CID106802562
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(4-hydroxyhexyl)pyrimidin-4-one
SMILESCCC(O)CCCn1cnccc1=O
InChIInChI=1S/C10H16N2O2/c1-2-9(13)4-3-7-12-8-11-6-5-10(12)14/h5-6,8-9,13H,2-4,7H2,1H3
InChIKeyPVMWJDLWUICEAD-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyhexyl)pyrimidin-4-one?
The IUPAC name of 3-(4-hydroxyhexyl)pyrimidin-4-one (CID 106802562) is 3-(4-hydroxyhexyl)pyrimidin-4-one.
What is the SMILES notation for 3-(4-hydroxyhexyl)pyrimidin-4-one?
The canonical SMILES for 3-(4-hydroxyhexyl)pyrimidin-4-one is CCC(O)CCCn1cnccc1=O.
What is the InChIKey of 3-(4-hydroxyhexyl)pyrimidin-4-one?
The InChIKey is PVMWJDLWUICEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-9(13)4-3-7-12-8-11-6-5-10(12)14/h5-6,8-9,13H,2-4,7H2,1H3.
What are the key properties of 3-(4-hydroxyhexyl)pyrimidin-4-one?
3-(4-hydroxyhexyl)pyrimidin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyhexyl)pyrimidin-4-one is sourced from PubChem (CID 106802562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).