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

C14H11ClF2N2 — CID 80974850

IUPAC4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1-c1cccc(F)c1F
InChIInChI=1S/C14H11ClF2N2/c1-7-12(9-3-2-4-10(16)11(9)17)18-14(8-5-6-8)19-13(7)15/h2-4,8H,5-6H2,1H3
InChIKeyMFHQTOLBCRICMX-UHFFFAOYSA-N
MW280.70 g/mol
LogP4.26
Rot. Bonds2

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

4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine (PubChem CID 80974850) has the molecular formula C14H11ClF2N2 and a molecular weight of 280.70 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine
PubChem CID80974850
Molecular FormulaC14H11ClF2N2
Molecular Weight280.70 g/mol
Exact Mass280.06
IUPAC Name4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1-c1cccc(F)c1F
InChIInChI=1S/C14H11ClF2N2/c1-7-12(9-3-2-4-10(16)11(9)17)18-14(8-5-6-8)19-13(7)15/h2-4,8H,5-6H2,1H3
InChIKeyMFHQTOLBCRICMX-UHFFFAOYSA-N
XLogP4.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.70
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80970010
4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine
CID 113324783
4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80975037
4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine
CID 80975934
2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine
CID 63668733
2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine
CID 80989930
4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine
CID 80970542
6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80975338
3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline
CID 80971058
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 80970425
6-chloro-2-cyclopropyl-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974137
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine
CID 82811061

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine (CID 80974850) is 4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1-c1cccc(F)c1F.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine?
The InChIKey is MFHQTOLBCRICMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2/c1-7-12(9-3-2-4-10(16)11(9)17)18-14(8-5-6-8)19-13(7)15/h2-4,8H,5-6H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine has a molecular weight of 280.70 g/mol, XLogP of 4.26, 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-(2,3-difluorophenyl)-5-methylpyrimidine is sourced from PubChem (CID 80974850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).