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

C13H9ClF2N2 — CID 55203209

IUPAC4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine
SMILESFc1ccc(-c2nc(Cl)cc(C3CC3)n2)cc1F
InChIInChI=1S/C13H9ClF2N2/c14-12-6-11(7-1-2-7)17-13(18-12)8-3-4-9(15)10(16)5-8/h3-7H,1-2H2
InChIKeyXXPBSKWMTRCHIM-UHFFFAOYSA-N
MW266.68 g/mol
LogP3.95
Rot. Bonds2

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

4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine (PubChem CID 55203209) has the molecular formula C13H9ClF2N2 and a molecular weight of 266.68 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine
PubChem CID55203209
Molecular FormulaC13H9ClF2N2
Molecular Weight266.68 g/mol
Exact Mass266.04
IUPAC Name4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine
SMILESFc1ccc(-c2nc(Cl)cc(C3CC3)n2)cc1F
InChIInChI=1S/C13H9ClF2N2/c14-12-6-11(7-1-2-7)17-13(18-12)8-3-4-9(15)10(16)5-8/h3-7H,1-2H2
InChIKeyXXPBSKWMTRCHIM-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine (CID 55203209) is 4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine is Fc1ccc(-c2nc(Cl)cc(C3CC3)n2)cc1F.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine?
The InChIKey is XXPBSKWMTRCHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2/c14-12-6-11(7-1-2-7)17-13(18-12)8-3-4-9(15)10(16)5-8/h3-7H,1-2H2.
What are the key properties of 4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine?
4-chloro-6-cyclopropyl-2-(3,4-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-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine is sourced from PubChem (CID 55203209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).