6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one

C10H10ClF3N2O — CID 114584528

IUPAC6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O/c11-7-5-8(17)16(4-3-10(12,13)14)9(15-7)6-1-2-6/h5-6H,1-4H2
InChIKeyNDADUVRDIOSLKT-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.73
Rot. Bonds3

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

6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one (PubChem CID 114584528) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
PubChem CID114584528
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O/c11-7-5-8(17)16(4-3-10(12,13)14)9(15-7)6-1-2-6/h5-6H,1-4H2
InChIKeyNDADUVRDIOSLKT-UHFFFAOYSA-N
XLogP2.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.73
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-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-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-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114581717
6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
6-Chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582148
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one (CID 114584528) is 6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one is O=c1cc(Cl)nc(C2CC2)n1CCC(F)(F)F.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one?
The InChIKey is NDADUVRDIOSLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-7-5-8(17)16(4-3-10(12,13)14)9(15-7)6-1-2-6/h5-6H,1-4H2.
What are the key properties of 6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one has a molecular weight of 266.65 g/mol, XLogP of 2.73, 3 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-(3,3,3-trifluoropropyl)pyrimidin-4-one is sourced from PubChem (CID 114584528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).