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

C17H18ClF3N6O2 — CID 89025658

About 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-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]acetamide (PubChem CID 89025658) has the molecular formula C17H18ClF3N6O2 and a molecular weight of 430.82 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]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]acetamide
• PubChem CID: 89025658
• Molecular Formula: C17H18ClF3N6O2
• Molecular Weight: 430.82 g/mol
• Exact Mass: 430.11
• 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]acetamide
• SMILES: Cc1cnc(CN2CC(CC(N)=O)c3c(Cl)nc(N)nc32)c(C)c1OC(F)(F)F
• InChI: InChI=1S/C17H18ClF3N6O2/c1-7-4-24-10(8(2)13(7)29-17(19,20)21)6-27-5-9(3-11(22)28)12-14(18)25-16(23)26-15(12)27/h4,9H,3,5-6H2,1-2H3,(H2,22,28)(H2,23,25,26)
• InChIKey: GPZBWJJJUNRXHQ-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 120.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.82
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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]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]acetamide (CID 89025658) is 2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-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]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]acetamide is Cc1cnc(CN2CC(CC(N)=O)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]acetamide?

The InChIKey is GPZBWJJJUNRXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N6O2/c1-7-4-24-10(8(2)13(7)29-17(19,20)21)6-27-5-9(3-11(22)28)12-14(18)25-16(23)26-15(12)27/h4,9H,3,5-6H2,1-2H3,(H2,22,28)(H2,23,25,26).

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]acetamide?

2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetamide has a molecular weight of 430.82 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]acetamide is sourced from PubChem (CID 89025658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).