6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one

C10H15ClN2O — CID 114582169

IUPAC6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one
SMILESCC(C)(C)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H15ClN2O/c1-10(2,3)4-5-13-7-12-8(11)6-9(13)14/h6-7H,4-5H2,1-3H3
InChIKeyDEULLMJOBXZYFP-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.33
Rot. Bonds2

About 6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one

6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one (PubChem CID 114582169) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one
PubChem CID114582169
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one
SMILESCC(C)(C)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H15ClN2O/c1-10(2,3)4-5-13-7-12-8(11)6-9(13)14/h6-7H,4-5H2,1-3H3
InChIKeyDEULLMJOBXZYFP-UHFFFAOYSA-N
XLogP2.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-((2,2-difluoro-1-methylcyclopropyl)methyl)-3,4-dihydropyrimidin-4-one
CID 165871494
6-Chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582148
6-Chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036361
6-Chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439751
6-(4-Chloro-6-oxopyrimidin-1-yl)-2,2-dimethylhexanenitrile
CID 106713683
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
6-Chloro-3-(2-methylpropyl)pyrimidin-4-one
CID 112547284
6-Chloro-2-methyl-3-(2-methylbutyl)pyrimidin-4-one
CID 114581593
6-Chloro-3-(3,3-dimethylbutyl)-2-methylpyrimidin-4-one
CID 114581738
4-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylbutanenitrile
CID 114581751
6-Chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one
CID 114581812
3-Butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one (CID 114582169) is 6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one is CC(C)(C)CCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one?
The InChIKey is DEULLMJOBXZYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-10(2,3)4-5-13-7-12-8(11)6-9(13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one?
6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one has a molecular weight of 214.70 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one is sourced from PubChem (CID 114582169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).