2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide

C27H32F4N4O3 — CID 175275130

About 2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide

2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide (PubChem CID 175275130) has the molecular formula C27H32F4N4O3 and a molecular weight of 536.57 g/mol. Its IUPAC name is 2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide
• PubChem CID: 175275130
• Molecular Formula: C27H32F4N4O3
• Molecular Weight: 536.57 g/mol
• Exact Mass: 536.24
• IUPAC Name: 2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide
• SMILES: Cc1nc(CC(=O)NC2(CF)CC2)c(C2OCCCO2)c(N[C@@H](c2cccc(C(F)(F)F)c2C)C2CC2)n1
• InChI: InChI=1S/C27H32F4N4O3/c1-15-18(5-3-6-19(15)27(29,30)31)23(17-7-8-17)34-24-22(25-37-11-4-12-38-25)20(32-16(2)33-24)13-21(36)35-26(14-28)9-10-26/h3,5-6,17,23,25H,4,7-14H2,1-2H3,(H,35,36)(H,32,33,34)/t23-/m1/s1
• InChIKey: ANIMFORKZSQUAG-HSZRJFAPSA-N
• XLogP: 5.27
• TPSA: 85.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.57
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide?

The IUPAC name of 2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide (CID 175275130) is 2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide.

What is the SMILES notation for 2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide?

The canonical SMILES for 2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide is Cc1nc(CC(=O)NC2(CF)CC2)c(C2OCCCO2)c(N[C@@H](c2cccc(C(F)(F)F)c2C)C2CC2)n1.

What is the InChIKey of 2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide?

The InChIKey is ANIMFORKZSQUAG-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H32F4N4O3/c1-15-18(5-3-6-19(15)27(29,30)31)23(17-7-8-17)34-24-22(25-37-11-4-12-38-25)20(32-16(2)33-24)13-21(36)35-26(14-28)9-10-26/h3,5-6,17,23,25H,4,7-14H2,1-2H3,(H,35,36)(H,32,33,34)/t23-/m1/s1.

What are the key properties of 2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide?

2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide has a molecular weight of 536.57 g/mol, XLogP of 5.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[(R)-cyclopropyl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]amino]-5-(1,3-dioxan-2-yl)-2-methylpyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 175275130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).