4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine

C15H14ClF3N2 — CID 63405676

IUPAC4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)nc(Cl)c1C(C)C
InChIInChI=1S/C15H14ClF3N2/c1-8(2)12-9(3)20-14(21-13(12)16)10-5-4-6-11(7-10)15(17,18)19/h4-8H,1-3H3
InChIKeyCQKFYXWRXHZUAR-UHFFFAOYSA-N
MW314.74 g/mol
LogP5.25
Rot. Bonds2

About 4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine

4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 63405676) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID63405676
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)nc(Cl)c1C(C)C
InChIInChI=1S/C15H14ClF3N2/c1-8(2)12-9(3)20-14(21-13(12)16)10-5-4-6-11(7-10)15(17,18)19/h4-8H,1-3H3
InChIKeyCQKFYXWRXHZUAR-UHFFFAOYSA-N
XLogP5.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.74
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine (CID 63405676) is 4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine is Cc1nc(-c2cccc(C(F)(F)F)c2)nc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is CQKFYXWRXHZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2/c1-8(2)12-9(3)20-14(21-13(12)16)10-5-4-6-11(7-10)15(17,18)19/h4-8H,1-3H3.
What are the key properties of 4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine?
4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 314.74 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 63405676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).