6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one

C9H13ClN2O2 — CID 114582253

IUPAC6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCCCCO
InChIInChI=1S/C9H13ClN2O2/c10-8-6-9(14)12(7-11-8)4-2-1-3-5-13/h6-7,13H,1-5H2
InChIKeySMLOYVYBDROYSR-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.06
Rot. Bonds5

About 6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one

6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one (PubChem CID 114582253) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one
PubChem CID114582253
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCCCCO
InChIInChI=1S/C9H13ClN2O2/c10-8-6-9(14)12(7-11-8)4-2-1-3-5-13/h6-7,13H,1-5H2
InChIKeySMLOYVYBDROYSR-UHFFFAOYSA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.06
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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Related Compounds

3-(5-Hydroxypentyl)-6-methylpyrimidin-4-one
CID 62229000
3-(5-Hydroxypentyl)pyrimidin-4-one
CID 63769902
3-(5-Hydroxypentyl)-5-iodopyrimidin-4-one
CID 66308627
6-Chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one
CID 107706068
6-Chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706071
5,6-Dichloro-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706077
6-Chloro-3-(6-hydroxyhexyl)-5-iodopyrimidin-4-one
CID 107706081
6-Chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824
6-Chloro-3-(3-hydroxypropyl)pyrimidin-4-one
CID 114582052
6-Chloro-3-(3-hydroxybutyl)pyrimidin-4-one
CID 114582184
6-Chloro-3-(4-hydroxybutyl)pyrimidin-4-one
CID 114582214
5-Amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114582691

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one (CID 114582253) is 6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one is O=c1cc(Cl)ncn1CCCCCO.
What is the InChIKey of 6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one?
The InChIKey is SMLOYVYBDROYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c10-8-6-9(14)12(7-11-8)4-2-1-3-5-13/h6-7,13H,1-5H2.
What are the key properties of 6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one?
6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one has a molecular weight of 216.67 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one is sourced from PubChem (CID 114582253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).