4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine

C14H11ClF2N2 — CID 113328920

IUPAC4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine
SMILESFC(F)c1cccc(-c2nc(Cl)cc(C3CC3)n2)c1
InChIInChI=1S/C14H11ClF2N2/c15-12-7-11(8-4-5-8)18-14(19-12)10-3-1-2-9(6-10)13(16)17/h1-3,6-8,13H,4-5H2
InChIKeyMZYNSBUPVHHWAJ-UHFFFAOYSA-N
MW280.70 g/mol
LogP4.61
Rot. Bonds3

About 4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine

4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine (PubChem CID 113328920) has the molecular formula C14H11ClF2N2 and a molecular weight of 280.70 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine
PubChem CID113328920
Molecular FormulaC14H11ClF2N2
Molecular Weight280.70 g/mol
Exact Mass280.06
IUPAC Name4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine
SMILESFC(F)c1cccc(-c2nc(Cl)cc(C3CC3)n2)c1
InChIInChI=1S/C14H11ClF2N2/c15-12-7-11(8-4-5-8)18-14(19-12)10-3-1-2-9(6-10)13(16)17/h1-3,6-8,13H,4-5H2
InChIKeyMZYNSBUPVHHWAJ-UHFFFAOYSA-N
XLogP4.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.70
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine
CID 55203209
4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine
CID 63355064
6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine
CID 115528554
4,6-dichloro-2-[3-(difluoromethyl)phenyl]-5-propan-2-ylpyrimidine
CID 115527508
4-chloro-6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine
CID 63352760
4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine
CID 63354926
2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 113329089
2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine
CID 115528416
4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine
CID 63353337
2-[3-(difluoromethyl)phenyl]pyrimidin-5-amine
CID 115527383
2-[3-(difluoromethyl)phenyl]pyrimidin-4-amine
CID 115528420
5-bromo-4-cyclopropyl-2-[3-(difluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 137012840

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine (CID 113328920) is 4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine is FC(F)c1cccc(-c2nc(Cl)cc(C3CC3)n2)c1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine?
The InChIKey is MZYNSBUPVHHWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2/c15-12-7-11(8-4-5-8)18-14(19-12)10-3-1-2-9(6-10)13(16)17/h1-3,6-8,13H,4-5H2.
What are the key properties of 4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine?
4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine has a molecular weight of 280.70 g/mol, XLogP of 4.61, 3 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-(difluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 113328920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).