6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine

C22H24F3N5 — CID 166527364

About 6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine

6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine (PubChem CID 166527364) has the molecular formula C22H24F3N5 and a molecular weight of 415.46 g/mol. Its IUPAC name is 6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine
• PubChem CID: 166527364
• Molecular Formula: C22H24F3N5
• Molecular Weight: 415.46 g/mol
• Exact Mass: 415.20
• IUPAC Name: 6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine
• SMILES: Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc(NC3CCCC3)cnc2n1
• InChI: InChI=1S/C22H24F3N5/c1-12(16-8-5-9-17(19(16)23)20(24)25)27-22-18-10-15(30-14-6-3-4-7-14)11-26-21(18)28-13(2)29-22/h5,8-12,14,20,30H,3-4,6-7H2,1-2H3,(H,26,27,28,29)/t12-/m1/s1
• InChIKey: RYSQKQHQKGXXRY-GFCCVEGCSA-N
• XLogP: 5.94
• TPSA: 62.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.46
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine?

The IUPAC name of 6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine (CID 166527364) is 6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine.

What is the SMILES notation for 6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine?

The canonical SMILES for 6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine is Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc(NC3CCCC3)cnc2n1.

What is the InChIKey of 6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine?

The InChIKey is RYSQKQHQKGXXRY-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H24F3N5/c1-12(16-8-5-9-17(19(16)23)20(24)25)27-22-18-10-15(30-14-6-3-4-7-14)11-26-21(18)28-13(2)29-22/h5,8-12,14,20,30H,3-4,6-7H2,1-2H3,(H,26,27,28,29)/t12-/m1/s1.

What are the key properties of 6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine?

6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine has a molecular weight of 415.46 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-cyclopentyl-4-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methylpyrido[2,3-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 166527364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).