6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one

C10H15ClN2O2 — CID 114581824

IUPAC6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCCCCO
InChIInChI=1S/C10H15ClN2O2/c1-8-12-9(11)7-10(15)13(8)5-3-2-4-6-14/h7,14H,2-6H2,1H3
InChIKeyIKZYTTZERIJSKF-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.37
Rot. Bonds5

About 6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one

6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one (PubChem CID 114581824) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
PubChem CID114581824
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCCCCO
InChIInChI=1S/C10H15ClN2O2/c1-8-12-9(11)7-10(15)13(8)5-3-2-4-6-14/h7,14H,2-6H2,1H3
InChIKeyIKZYTTZERIJSKF-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.37
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-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
6-chloro-2-ethyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706084
6-chloro-3-(5-hydroxypentyl)-2-propan-2-ylpyrimidin-4-one
CID 114584966
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114581852
6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one
CID 114581993
6-chloro-2-methyl-3-pent-4-enylpyrimidin-4-one
CID 114581760
6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 114581801
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114581924
6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114581597
3-decyl-2,6-dimethylpyrimidin-4-one
CID 175080397
6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
CID 114581850

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one (CID 114581824) is 6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCCCCO.
What is the InChIKey of 6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one?
The InChIKey is IKZYTTZERIJSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-8-12-9(11)7-10(15)13(8)5-3-2-4-6-14/h7,14H,2-6H2,1H3.
What are the key properties of 6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one?
6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one has a molecular weight of 230.69 g/mol, XLogP of 1.37, 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)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).