4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine

C14H11Cl2F3N2 — CID 63612354

IUPAC4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESCC(C)c1c(Cl)nc(-c2ccccc2C(F)(F)F)nc1Cl
InChIInChI=1S/C14H11Cl2F3N2/c1-7(2)10-11(15)20-13(21-12(10)16)8-5-3-4-6-9(8)14(17,18)19/h3-7H,1-2H3
InChIKeyVIFNOYTVPOTVTM-UHFFFAOYSA-N
MW335.16 g/mol
LogP5.59
Rot. Bonds2

About 4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine

4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 63612354) has the molecular formula C14H11Cl2F3N2 and a molecular weight of 335.16 g/mol. Its IUPAC name is 4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID63612354
Molecular FormulaC14H11Cl2F3N2
Molecular Weight335.16 g/mol
Exact Mass334.03
IUPAC Name4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESCC(C)c1c(Cl)nc(-c2ccccc2C(F)(F)F)nc1Cl
InChIInChI=1S/C14H11Cl2F3N2/c1-7(2)10-11(15)20-13(21-12(10)16)8-5-3-4-6-9(8)14(17,18)19/h3-7H,1-2H3
InChIKeyVIFNOYTVPOTVTM-UHFFFAOYSA-N
XLogP5.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.16
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine (CID 63612354) is 4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine is CC(C)c1c(Cl)nc(-c2ccccc2C(F)(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is VIFNOYTVPOTVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2/c1-7(2)10-11(15)20-13(21-12(10)16)8-5-3-4-6-9(8)14(17,18)19/h3-7H,1-2H3.
What are the key properties of 4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 335.16 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 63612354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).