2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine

C28H24F3N7 — CID 164881407

About 2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine

2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 164881407) has the molecular formula C28H24F3N7 and a molecular weight of 515.54 g/mol. Its IUPAC name is 2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
• PubChem CID: 164881407
• Molecular Formula: C28H24F3N7
• Molecular Weight: 515.54 g/mol
• Exact Mass: 515.20
• IUPAC Name: 2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
• SMILES: Cn1cc(C(F)(F)F)nc1-c1ccc(Cc2c[nH]c3cnc(-c4c(C5CC5)ncnc4C4CC4)nc23)cc1
• InChI: InChI=1S/C28H24F3N7/c1-38-13-21(28(29,30)31)36-27(38)18-4-2-15(3-5-18)10-19-11-32-20-12-33-26(37-23(19)20)22-24(16-6-7-16)34-14-35-25(22)17-8-9-17/h2-5,11-14,16-17,32H,6-10H2,1H3
• InChIKey: VBUYQQMNBQDPJQ-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.54
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?

The IUPAC name of 2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine (CID 164881407) is 2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine.

What is the SMILES notation for 2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?

The canonical SMILES for 2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine is Cn1cc(C(F)(F)F)nc1-c1ccc(Cc2c[nH]c3cnc(-c4c(C5CC5)ncnc4C4CC4)nc23)cc1.

What is the InChIKey of 2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?

The InChIKey is VBUYQQMNBQDPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N7/c1-38-13-21(28(29,30)31)36-27(38)18-4-2-15(3-5-18)10-19-11-32-20-12-33-26(37-23(19)20)22-24(16-6-7-16)34-14-35-25(22)17-8-9-17/h2-5,11-14,16-17,32H,6-10H2,1H3.

What are the key properties of 2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?

2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 515.54 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-dicyclopropylpyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 164881407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).