6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one

C10H14ClFN2O — CID 114585057

IUPAC6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nc(Cl)cc(=O)n1CCCF
InChIInChI=1S/C10H14ClFN2O/c1-7(2)10-13-8(11)6-9(15)14(10)5-3-4-12/h6-7H,3-5H2,1-2H3
InChIKeyXSZFBPBLLXTGBM-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.38
Rot. Bonds4

About 6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one

6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one (PubChem CID 114585057) has the molecular formula C10H14ClFN2O and a molecular weight of 232.69 g/mol. Its IUPAC name is 6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one
PubChem CID114585057
Molecular FormulaC10H14ClFN2O
Molecular Weight232.69 g/mol
Exact Mass232.08
IUPAC Name6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nc(Cl)cc(=O)n1CCCF
InChIInChI=1S/C10H14ClFN2O/c1-7(2)10-13-8(11)6-9(15)14(10)5-3-4-12/h6-7H,3-5H2,1-2H3
InChIKeyXSZFBPBLLXTGBM-UHFFFAOYSA-N
XLogP2.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 113604553
6-Chloro-2-propan-2-yl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 113604603
6-Chloro-2-propan-2-yl-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 113604616
6-Chloro-2-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 113604634
6-Chloro-2-propan-2-yl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 113867398
6-Chloro-2-methyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114581616
6-Chloro-2-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114581628
6-Chloro-2-methyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114581717
6-Chloro-3-(difluoromethyl)-2-methylpyrimidin-4-one
CID 114581758
6-Chloro-3-(2,2-difluoroethyl)-2-methylpyrimidin-4-one
CID 114581781
6-Chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one
CID 114581875
6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one (CID 114585057) is 6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one is CC(C)c1nc(Cl)cc(=O)n1CCCF.
What is the InChIKey of 6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one?
The InChIKey is XSZFBPBLLXTGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O/c1-7(2)10-13-8(11)6-9(15)14(10)5-3-4-12/h6-7H,3-5H2,1-2H3.
What are the key properties of 6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one?
6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one has a molecular weight of 232.69 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 114585057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).