6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one

C10H15ClN2O2 — CID 130495500

IUPAC6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(O)C(C)C
InChIInChI=1S/C10H15ClN2O2/c1-6(2)8(14)5-13-7(3)12-9(11)4-10(13)15/h4,6,8,14H,5H2,1-3H3
InChIKeyGJPYQYZMXCQHOR-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.22
Rot. Bonds3

About 6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one

6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one (PubChem CID 130495500) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
PubChem CID130495500
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(O)C(C)C
InChIInChI=1S/C10H15ClN2O2/c1-6(2)8(14)5-13-7(3)12-9(11)4-10(13)15/h4,6,8,14H,5H2,1-3H3
InChIKeyGJPYQYZMXCQHOR-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one (CID 130495500) is 6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC(O)C(C)C.
What is the InChIKey of 6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one?
The InChIKey is GJPYQYZMXCQHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-6(2)8(14)5-13-7(3)12-9(11)4-10(13)15/h4,6,8,14H,5H2,1-3H3.
What are the key properties of 6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one?
6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one has a molecular weight of 230.69 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 130495500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).