4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine

C15H12ClF3N2 — CID 80970010

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2/c1-8-12(20-14(9-6-7-9)21-13(8)16)10-4-2-3-5-11(10)15(17,18)19/h2-5,9H,6-7H2,1H3
InChIKeyWQOAXGLBZLBYSG-UHFFFAOYSA-N
MW312.72 g/mol
LogP5.00
Rot. Bonds2

About 4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 80970010) has the molecular formula C15H12ClF3N2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID80970010
Molecular FormulaC15H12ClF3N2
Molecular Weight312.72 g/mol
Exact Mass312.06
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2/c1-8-12(20-14(9-6-7-9)21-13(8)16)10-4-2-3-5-11(10)15(17,18)19/h2-5,9H,6-7H2,1H3
InChIKeyWQOAXGLBZLBYSG-UHFFFAOYSA-N
XLogP5.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.72
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine (CID 80970010) is 4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine is Cc1c(Cl)nc(C2CC2)nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is WQOAXGLBZLBYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2/c1-8-12(20-14(9-6-7-9)21-13(8)16)10-4-2-3-5-11(10)15(17,18)19/h2-5,9H,6-7H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 312.72 g/mol, XLogP of 5.00, 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-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 80970010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).