2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine

C25H26F3N9O3S — CID 178172127

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine (PubChem CID 178172127) has the molecular formula C25H26F3N9O3S and a molecular weight of 589.60 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine
• PubChem CID: 178172127
• Molecular Formula: C25H26F3N9O3S
• Molecular Weight: 589.60 g/mol
• Exact Mass: 589.18
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine
• SMILES: COc1ncnc(C2CC2)c1-c1ncnc(N(Cc2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)S(N)(=O)=O)n1
• InChI: InChI=1S/C25H26F3N9O3S/c1-14(2)36-11-18(25(26,27)28)34-22(36)17-6-4-15(5-7-17)10-37(41(29,38)39)24-33-13-31-21(35-24)19-20(16-8-9-16)30-12-32-23(19)40-3/h4-7,11-14,16H,8-10H2,1-3H3,(H2,29,38,39)
• InChIKey: MDWOGGKECBMCBD-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 154.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.60
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine?

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine (CID 178172127) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine.

What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine?

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine is COc1ncnc(C2CC2)c1-c1ncnc(N(Cc2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)S(N)(=O)=O)n1.

What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine?

The InChIKey is MDWOGGKECBMCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N9O3S/c1-14(2)36-11-18(25(26,27)28)34-22(36)17-6-4-15(5-7-17)10-37(41(29,38)39)24-33-13-31-21(35-24)19-20(16-8-9-16)30-12-32-23(19)40-3/h4-7,11-14,16H,8-10H2,1-3H3,(H2,29,38,39).

What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine?

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine has a molecular weight of 589.60 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl-sulfamoylamino]-1,3,5-triazine is sourced from PubChem (CID 178172127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).