4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine

C35H43F9N6 — CID 159470603

IUPAC4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cccc(C(C)F)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1nccc(C(F)F)n1
InChIInChI=1S/C10H14FN.C9H10F3N.C8H9F3N2.C8H10F2N2/c1-7(2)9-5-4-6-10(12-9)8(3)11;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-5(2)8-11-4-3-6(12-8)7(9)10/h4-8H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3-5,7H,1-2H3
InChIKeyLVTDOFFSXHPSOF-UHFFFAOYSA-N
MW718.75 g/mol
LogP11.62
Rot. Bonds6

About 4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine

4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 159470603) has the molecular formula C35H43F9N6 and a molecular weight of 718.75 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
PubChem CID159470603
Molecular FormulaC35H43F9N6
Molecular Weight718.75 g/mol
Exact Mass718.34
IUPAC Name4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
SMILESCC(C)c1cccc(C(C)F)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1nccc(C(F)F)n1
InChIInChI=1S/C10H14FN.C9H10F3N.C8H9F3N2.C8H10F2N2/c1-7(2)9-5-4-6-10(12-9)8(3)11;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-5(2)8-11-4-3-6(12-8)7(9)10/h4-8H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3-5,7H,1-2H3
InChIKeyLVTDOFFSXHPSOF-UHFFFAOYSA-N
XLogP11.62
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.75
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine (CID 159470603) is 4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine is CC(C)c1cccc(C(C)F)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1nccc(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
The InChIKey is LVTDOFFSXHPSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN.C9H10F3N.C8H9F3N2.C8H10F2N2/c1-7(2)9-5-4-6-10(12-9)8(3)11;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-5(2)8-11-4-3-6(12-8)7(9)10/h4-8H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3-5,7H,1-2H3.
What are the key properties of 4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 718.75 g/mol, XLogP of 11.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-propan-2-ylpyrimidine;2-(1-fluoroethyl)-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159470603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).