ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine

C29H41FN6O2 — CID 145191614

About ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine

ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 145191614) has the molecular formula C29H41FN6O2 and a molecular weight of 524.69 g/mol. Its IUPAC name is ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

• Compound Name: ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
• PubChem CID: 145191614
• Molecular Formula: C29H41FN6O2
• Molecular Weight: 524.69 g/mol
• Exact Mass: 524.33
• IUPAC Name: ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
• SMILES: CC.CC.CC(C)Cc1ncc(F)cn1.COc1cccc(-c2nnc(C)n2-c2c(C)cccc2OC)n1
• InChI: InChI=1S/C17H18N4O2.C8H11FN2.2C2H6/c1-11-7-5-9-14(22-3)16(11)21-12(2)19-20-17(21)13-8-6-10-15(18-13)23-4;1-6(2)3-8-10-4-7(9)5-11-8;2*1-2/h5-10H,1-4H3;4-6H,3H2,1-2H3;2*1-2H3
• InChIKey: MIDSKECVYZUUHA-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 87.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.69
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?

The IUPAC name of ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine (CID 145191614) is ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine.

What is the SMILES notation for ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?

The canonical SMILES for ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine is CC.CC.CC(C)Cc1ncc(F)cn1.COc1cccc(-c2nnc(C)n2-c2c(C)cccc2OC)n1.

What is the InChIKey of ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?

The InChIKey is MIDSKECVYZUUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2.C8H11FN2.2C2H6/c1-11-7-5-9-14(22-3)16(11)21-12(2)19-20-17(21)13-8-6-10-15(18-13)23-4;1-6(2)3-8-10-4-7(9)5-11-8;2*1-2/h5-10H,1-4H3;4-6H,3H2,1-2H3;2*1-2H3.

What are the key properties of ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?

ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 524.69 g/mol, XLogP of 6.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 145191614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).