4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine

C14H12ClF3N2 — CID 104845821

IUPAC4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine
SMILESCc1c(Cl)nc(CCC(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C14H12ClF3N2/c1-9-12(10-5-3-2-4-6-10)19-11(20-13(9)15)7-8-14(16,17)18/h2-6H,7-8H2,1H3
InChIKeyRACIDLKAEJDMLL-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.60
Rot. Bonds3

About 4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine

4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 104845821) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID104845821
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine
SMILESCc1c(Cl)nc(CCC(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C14H12ClF3N2/c1-9-12(10-5-3-2-4-6-10)19-11(20-13(9)15)7-8-14(16,17)18/h2-6H,7-8H2,1H3
InChIKeyRACIDLKAEJDMLL-UHFFFAOYSA-N
XLogP4.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine (CID 104845821) is 4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine is Cc1c(Cl)nc(CCC(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of 4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is RACIDLKAEJDMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c1-9-12(10-5-3-2-4-6-10)19-11(20-13(9)15)7-8-14(16,17)18/h2-6H,7-8H2,1H3.
What are the key properties of 4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine?
4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 300.71 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 104845821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).