6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one

C10H15ClN2O2 — CID 114584320

IUPAC6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCCCO
InChIInChI=1S/C10H15ClN2O2/c1-2-9-12-8(11)7-10(15)13(9)5-3-4-6-14/h7,14H,2-6H2,1H3
InChIKeyMBJOZBUHYXJYSH-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.23
Rot. Bonds5

About 6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one

6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one (PubChem CID 114584320) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one
PubChem CID114584320
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCCCO
InChIInChI=1S/C10H15ClN2O2/c1-2-9-12-8(11)7-10(15)13(9)5-3-4-6-14/h7,14H,2-6H2,1H3
InChIKeyMBJOZBUHYXJYSH-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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

Actinium;6-amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
CID 23518642
6-Amino-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
CID 23518643
3-(4-Hydroxybutyl)-2,6-dimethylpyrimidin-4-one
CID 63769737
6-Chloro-3-(6-hydroxyhexyl)-2-methylpyrimidin-4-one
CID 107706068
6-Chloro-2-ethyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706084
6-Chloro-3-(6-hydroxyhexyl)-2-propan-2-ylpyrimidin-4-one
CID 113991798
6-Chloro-3-(2-hydroxyethyl)-2-methylpyrimidin-4-one
CID 114581600
6-Chloro-3-(3-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581625
6-Chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
6-Chloro-3-(4-methoxybutyl)-2-methylpyrimidin-4-one
CID 114581739
6-Chloro-3-(3-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581755
6-Chloro-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581785

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one (CID 114584320) is 6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CCCCO.
What is the InChIKey of 6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one?
The InChIKey is MBJOZBUHYXJYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-2-9-12-8(11)7-10(15)13(9)5-3-4-6-14/h7,14H,2-6H2,1H3.
What are the key properties of 6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one?
6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one has a molecular weight of 230.69 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-(4-hydroxybutyl)pyrimidin-4-one is sourced from PubChem (CID 114584320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).