6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one

C10H12ClFN2O — CID 114584763

IUPAC6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCCF
InChIInChI=1S/C10H12ClFN2O/c11-8-6-9(15)14(5-1-4-12)10(13-8)7-2-3-7/h6-7H,1-5H2
InChIKeyDHSDUBXCYIVBPY-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.13
Rot. Bonds4

About 6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one

6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one (PubChem CID 114584763) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one
PubChem CID114584763
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCCF
InChIInChI=1S/C10H12ClFN2O/c11-8-6-9(15)14(5-1-4-12)10(13-8)7-2-3-7/h6-7H,1-5H2
InChIKeyDHSDUBXCYIVBPY-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705733
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-methyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114581616
6-Chloro-2-methyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114581717
6-Chloro-3-(2-fluoroethyl)-2-methylpyrimidin-4-one
CID 114581875
6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
6-Chloro-2-ethyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114584188
6-Chloro-2-ethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114584199
6-Chloro-2-ethyl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114584264
6-Chloro-3-(2,2-difluoroethyl)-2-ethylpyrimidin-4-one
CID 114584316
6-Chloro-2-ethyl-3-(2-fluoroethyl)pyrimidin-4-one
CID 114584391

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one (CID 114584763) is 6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one is O=c1cc(Cl)nc(C2CC2)n1CCCF.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one?
The InChIKey is DHSDUBXCYIVBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-8-6-9(15)14(5-1-4-12)10(13-8)7-2-3-7/h6-7H,1-5H2.
What are the key properties of 6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one has a molecular weight of 230.67 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3-(3-fluoropropyl)pyrimidin-4-one is sourced from PubChem (CID 114584763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).