4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine

C51H45F6N11O5 — CID 172585598

About 4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine

4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine (PubChem CID 172585598) has the molecular formula C51H45F6N11O5 and a molecular weight of 1005.98 g/mol. Its IUPAC name is 4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine.

Molecular Properties

• Compound Name: 4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine
• PubChem CID: 172585598
• Molecular Formula: C51H45F6N11O5
• Molecular Weight: 1005.98 g/mol
• Exact Mass: 1005.35
• IUPAC Name: 4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine
• SMILES: COc1cnc(-c2c(OC)ncnc2C2CC2)nc1OCc1ccc(-n2nc(C(F)(F)F)cc2C)cc1.COc1ncnc(C2CC2)c1-c1nccc(OCc2ccc(-c3nc(C(F)(F)F)ccc3C)cc2)n1
• InChI: InChI=1S/C26H22F3N5O2.C25H23F3N6O3/c1-15-3-10-19(26(27,28)29)33-22(15)17-6-4-16(5-7-17)13-36-20-11-12-30-24(34-20)21-23(18-8-9-18)31-14-32-25(21)35-2;1-14-10-19(25(26,27)28)33-34(14)17-8-4-15(5-9-17)12-37-23-18(35-2)11-29-22(32-23)20-21(16-6-7-16)30-13-31-24(20)36-3/h3-7,10-12,14,18H,8-9,13H2,1-2H3;4-5,8-11,13,16H,6-7,12H2,1-3H3
• InChIKey: UKJYIZHHMPBVPN-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 179.98 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1005.98
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine?

The IUPAC name of 4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine (CID 172585598) is 4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine.

What is the SMILES notation for 4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine?

The canonical SMILES for 4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine is COc1cnc(-c2c(OC)ncnc2C2CC2)nc1OCc1ccc(-n2nc(C(F)(F)F)cc2C)cc1.COc1ncnc(C2CC2)c1-c1nccc(OCc2ccc(-c3nc(C(F)(F)F)ccc3C)cc2)n1.

What is the InChIKey of 4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine?

The InChIKey is UKJYIZHHMPBVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2.C25H23F3N6O3/c1-15-3-10-19(26(27,28)29)33-22(15)17-6-4-16(5-7-17)13-36-20-11-12-30-24(34-20)21-23(18-8-9-18)31-14-32-25(21)35-2;1-14-10-19(25(26,27)28)33-34(14)17-8-4-15(5-9-17)12-37-23-18(35-2)11-29-22(32-23)20-21(16-6-7-16)30-13-31-24(20)36-3/h3-7,10-12,14,18H,8-9,13H2,1-2H3;4-5,8-11,13,16H,6-7,12H2,1-3H3.

What are the key properties of 4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine?

4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine has a molecular weight of 1005.98 g/mol, XLogP of 10.71, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-6-methoxy-5-[4-[[4-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methoxy]pyrimidin-2-yl]pyrimidine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methoxy-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methoxy]pyrimidine is sourced from PubChem (CID 172585598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).