6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one

C10H15ClN2O2 — CID 114584338

IUPAC6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CC(C)CO
InChIInChI=1S/C10H15ClN2O2/c1-3-9-12-8(11)4-10(15)13(9)5-7(2)6-14/h4,7,14H,3,5-6H2,1-2H3
InChIKeyZQIVPJDKWPHGHR-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.09
Rot. Bonds4

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

6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one (PubChem CID 114584338) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
PubChem CID114584338
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CC(C)CO
InChIInChI=1S/C10H15ClN2O2/c1-3-9-12-8(11)4-10(15)13(9)5-7(2)6-14/h4,7,14H,3,5-6H2,1-2H3
InChIKeyZQIVPJDKWPHGHR-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one (CID 114584338) is 6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CC(C)CO.
What is the InChIKey of 6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
The InChIKey is ZQIVPJDKWPHGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-3-9-12-8(11)4-10(15)13(9)5-7(2)6-14/h4,7,14H,3,5-6H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
6-chloro-2-ethyl-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one has a molecular weight of 230.69 g/mol, XLogP of 1.09, 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-hydroxy-2-methylpropyl)pyrimidin-4-one is sourced from PubChem (CID 114584338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).