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

C20H22ClF3N6O2 — CID 89025657

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-cyclopropylacetamide

2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-cyclopropylacetamide (PubChem CID 89025657) has the molecular formula C20H22ClF3N6O2 and a molecular weight of 470.88 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-cyclopropylacetamide.

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-cyclopropylacetamide
• PubChem CID: 89025657
• Molecular Formula: C20H22ClF3N6O2
• Molecular Weight: 470.88 g/mol
• Exact Mass: 470.14
• 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-cyclopropylacetamide
• SMILES: Cc1cnc(CN2CC(CC(=O)NC3CC3)c3c(Cl)nc(N)nc32)c(C)c1OC(F)(F)F
• InChI: InChI=1S/C20H22ClF3N6O2/c1-9-6-26-13(10(2)16(9)32-20(22,23)24)8-30-7-11(5-14(31)27-12-3-4-12)15-17(21)28-19(25)29-18(15)30/h6,11-12H,3-5,7-8H2,1-2H3,(H,27,31)(H2,25,28,29)
• InChIKey: LPKRYMJNLLHCRT-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 106.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.88
LogP ≤ 5	3.40
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]-N-cyclopropylacetamide?

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-cyclopropylacetamide (CID 89025657) 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-cyclopropylacetamide.

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-cyclopropylacetamide?

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-cyclopropylacetamide is Cc1cnc(CN2CC(CC(=O)NC3CC3)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-cyclopropylacetamide?

The InChIKey is LPKRYMJNLLHCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N6O2/c1-9-6-26-13(10(2)16(9)32-20(22,23)24)8-30-7-11(5-14(31)27-12-3-4-12)15-17(21)28-19(25)29-18(15)30/h6,11-12H,3-5,7-8H2,1-2H3,(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-cyclopropylacetamide?

2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-cyclopropylacetamide has a molecular weight of 470.88 g/mol, XLogP of 3.40, 6 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]-N-cyclopropylacetamide is sourced from PubChem (CID 89025657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).