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

C10H15ClN2O2 — CID 114584298

IUPAC6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCC(C)O
InChIInChI=1S/C10H15ClN2O2/c1-3-9-12-8(11)6-10(15)13(9)5-4-7(2)14/h6-7,14H,3-5H2,1-2H3
InChIKeyAJFKYFMHEOICDD-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.23
Rot. Bonds4

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

6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one (PubChem CID 114584298) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one
PubChem CID114584298
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCC(C)O
InChIInChI=1S/C10H15ClN2O2/c1-3-9-12-8(11)6-10(15)13(9)5-4-7(2)14/h6-7,14H,3-5H2,1-2H3
InChIKeyAJFKYFMHEOICDD-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

3-(3-Hydroxybutyl)-2,6-dimethylpyrimidin-4-one
CID 63769038
6-Chloro-2-ethyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706084
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-(2,3-dihydroxypropyl)-2-methylpyrimidin-4-one
CID 114581723
6-Chloro-3-(3-methoxypropyl)-2-methylpyrimidin-4-one
CID 114581724
6-Chloro-3-(3-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581755
6-Chloro-3-(4-hydroxybutyl)-2-methylpyrimidin-4-one
CID 114581785
6-Chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 114581801
6-Chloro-3-(3-hydroxy-2-methylpropyl)-2-methylpyrimidin-4-one
CID 114581806
6-Chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one (CID 114584298) is 6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CCC(C)O.
What is the InChIKey of 6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one?
The InChIKey is AJFKYFMHEOICDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-3-9-12-8(11)6-10(15)13(9)5-4-7(2)14/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one?
6-chloro-2-ethyl-3-(3-hydroxybutyl)pyrimidin-4-one has a molecular weight of 230.69 g/mol, XLogP of 1.23, 4 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-(3-hydroxybutyl)pyrimidin-4-one is sourced from PubChem (CID 114584298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).