2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide

C20H22ClF3N6O3 — CID 75273873

About 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide

2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide (PubChem CID 75273873) has the molecular formula C20H22ClF3N6O3 and a molecular weight of 486.88 g/mol. Its IUPAC name is 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide
• PubChem CID: 75273873
• Molecular Formula: C20H22ClF3N6O3
• Molecular Weight: 486.88 g/mol
• Exact Mass: 486.14
• IUPAC Name: 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide
• SMILES: Cc1cnc(CN2CC(CC(=O)NC3COC3)c3c(Cl)nc(N)nc32)c(C)c1OC(F)(F)F
• InChI: InChI=1S/C20H22ClF3N6O3/c1-9-4-26-13(10(2)16(9)33-20(22,23)24)6-30-5-11(3-14(31)27-12-7-32-8-12)15-17(21)28-19(25)29-18(15)30/h4,11-12H,3,5-8H2,1-2H3,(H,27,31)(H2,25,28,29)
• InChIKey: ZZYWRANRZUKMOS-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 115.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.88
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide?

The IUPAC name of 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide (CID 75273873) is 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide.

What is the SMILES notation for 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide?

The canonical SMILES for 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide is Cc1cnc(CN2CC(CC(=O)NC3COC3)c3c(Cl)nc(N)nc32)c(C)c1OC(F)(F)F.

What is the InChIKey of 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide?

The InChIKey is ZZYWRANRZUKMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N6O3/c1-9-4-26-13(10(2)16(9)33-20(22,23)24)6-30-5-11(3-14(31)27-12-7-32-8-12)15-17(21)28-19(25)29-18(15)30/h4,11-12H,3,5-8H2,1-2H3,(H,27,31)(H2,25,28,29).

What are the key properties of 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide?

2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide has a molecular weight of 486.88 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide is sourced from PubChem (CID 75273873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).