2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane

C57H99F5N10O2 — CID 161322720

About 2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane

2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane (PubChem CID 161322720) has the molecular formula C57H99F5N10O2 and a molecular weight of 1051.48 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane.

Molecular Properties

• Compound Name: 2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane
• PubChem CID: 161322720
• Molecular Formula: C57H99F5N10O2
• Molecular Weight: 1051.48 g/mol
• Exact Mass: 1050.79
• IUPAC Name: 2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane
• SMILES: CC(C)c1cncc(C(C)(F)F)n1.CCC.CCC.CCC.CCC.CCC.COc1cc(C(C)C)ncn1.COc1cncc(C(C)C)n1.Cc1cc(C(C)C)cnn1.Cc1nc(C(C)C)cc(C(F)(F)F)n1
• InChI: InChI=1S/C9H11F3N2.C9H12F2N2.2C8H12N2O.C8H12N2.5C3H8/c1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-6(2)7-4-12-5-8(13-7)9(3,10)11;1-6(2)7-4-9-5-8(10-7)11-3;1-6(2)7-4-8(11-3)10-5-9-7;1-6(2)8-4-7(3)10-9-5-8;5*1-3-2/h4-5H,1-3H3;4-6H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;5*3H2,1-2H3
• InChIKey: VKIYCBBKZBKNCL-UHFFFAOYSA-N
• XLogP: 17.85
• TPSA: 147.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1051.48
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane?

The IUPAC name of 2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane (CID 161322720) is 2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane.

What is the SMILES notation for 2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane?

The canonical SMILES for 2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane is CC(C)c1cncc(C(C)(F)F)n1.CCC.CCC.CCC.CCC.CCC.COc1cc(C(C)C)ncn1.COc1cncc(C(C)C)n1.Cc1cc(C(C)C)cnn1.Cc1nc(C(C)C)cc(C(F)(F)F)n1.

What is the InChIKey of 2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane?

The InChIKey is VKIYCBBKZBKNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2.C9H12F2N2.2C8H12N2O.C8H12N2.5C3H8/c1-5(2)7-4-8(9(10,11)12)14-6(3)13-7;1-6(2)7-4-12-5-8(13-7)9(3,10)11;1-6(2)7-4-9-5-8(10-7)11-3;1-6(2)7-4-8(11-3)10-5-9-7;1-6(2)8-4-7(3)10-9-5-8;5*1-3-2/h4-5H,1-3H3;4-6H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;5*3H2,1-2H3.

What are the key properties of 2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane?

2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane has a molecular weight of 1051.48 g/mol, XLogP of 17.85, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-difluoroethyl)-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methoxy-6-propan-2-ylpyrimidine;3-methyl-5-propan-2-ylpyridazine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;propane is sourced from PubChem (CID 161322720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).