4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine

C13H9ClF2N2 — CID 80952148

IUPAC4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine
SMILESFc1cc(F)cc(-c2cc(Cl)nc(C3CC3)n2)c1
InChIInChI=1S/C13H9ClF2N2/c14-12-6-11(17-13(18-12)7-1-2-7)8-3-9(15)5-10(16)4-8/h3-7H,1-2H2
InChIKeyLXWCFHQZCLSVAA-UHFFFAOYSA-N
MW266.68 g/mol
LogP3.95
Rot. Bonds2

About 4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine

4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine (PubChem CID 80952148) has the molecular formula C13H9ClF2N2 and a molecular weight of 266.68 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine
PubChem CID80952148
Molecular FormulaC13H9ClF2N2
Molecular Weight266.68 g/mol
Exact Mass266.04
IUPAC Name4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine
SMILESFc1cc(F)cc(-c2cc(Cl)nc(C3CC3)n2)c1
InChIInChI=1S/C13H9ClF2N2/c14-12-6-11(17-13(18-12)7-1-2-7)8-3-9(15)5-10(16)4-8/h3-7H,1-2H2
InChIKeyLXWCFHQZCLSVAA-UHFFFAOYSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine
CID 80952668
4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine
CID 63404866
4,6-dichloro-2-cycloundecylpyrimidine
CID 123163685
2-chloro-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine
CID 102716375
4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
CID 113390255
4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine
CID 80952004
4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine
CID 80948580
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)quinoline
CID 116645194
6-chloro-2-cyclopropyl-N-(3,5-dichloro-4-fluorophenyl)pyrimidin-4-amine
CID 107576837
2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 80952990
4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine
CID 80975934
[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone
CID 172581072

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine (CID 80952148) is 4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine is Fc1cc(F)cc(-c2cc(Cl)nc(C3CC3)n2)c1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine?
The InChIKey is LXWCFHQZCLSVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2/c14-12-6-11(17-13(18-12)7-1-2-7)8-3-9(15)5-10(16)4-8/h3-7H,1-2H2.
What are the key properties of 4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine?
4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine has a molecular weight of 266.68 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine is sourced from PubChem (CID 80952148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).