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

C10H15ClN2O2 — CID 114581801

IUPAC6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCC(C)(C)O
InChIInChI=1S/C10H15ClN2O2/c1-7-12-8(11)6-9(14)13(7)5-4-10(2,3)15/h6,15H,4-5H2,1-3H3
InChIKeySQZWMFSCOOWDJF-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.37
Rot. Bonds3

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

6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one (PubChem CID 114581801) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
PubChem CID114581801
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCC(C)(C)O
InChIInChI=1S/C10H15ClN2O2/c1-7-12-8(11)6-9(14)13(7)5-4-10(2,3)15/h6,15H,4-5H2,1-3H3
InChIKeySQZWMFSCOOWDJF-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824
6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one
CID 114581993
6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
6-chloro-2-methyl-3-pent-4-enylpyrimidin-4-one
CID 114581760
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114581852
6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
CID 114581850
6-chloro-3-[(4-iodophenyl)methyl]-2-methylpyrimidin-4-one
CID 114581841
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114581924
6-chloro-3-(2-ethylbutyl)-2-methylpyrimidin-4-one
CID 114582003
6-chloro-2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-one
CID 103013456
6-chloro-2-methyl-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 114581731

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one (CID 114581801) is 6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCC(C)(C)O.
What is the InChIKey of 6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one?
The InChIKey is SQZWMFSCOOWDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-7-12-8(11)6-9(14)13(7)5-4-10(2,3)15/h6,15H,4-5H2,1-3H3.
What are the key properties of 6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one?
6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one has a molecular weight of 230.69 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).