2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol

C22H26N10O3 — CID 126694489

About 2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol

2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol (PubChem CID 126694489) has the molecular formula C22H26N10O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is 2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol.

Molecular Properties

• Compound Name: 2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol
• PubChem CID: 126694489
• Molecular Formula: C22H26N10O3
• Molecular Weight: 478.52 g/mol
• Exact Mass: 478.22
• IUPAC Name: 2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol
• SMILES: Nc1nc(NCC2CC(c3ccc4nc(N)nc(NC(CO)CO)c4n3)CO2)c2ncccc2n1
• InChI: InChI=1S/C22H26N10O3/c23-21-29-15-2-1-5-25-17(15)19(31-21)26-7-13-6-11(10-35-13)14-3-4-16-18(28-14)20(32-22(24)30-16)27-12(8-33)9-34/h1-5,11-13,33-34H,6-10H2,(H3,23,26,29,31)(H3,24,27,30,32)
• InChIKey: NANZCGWMWZFBNH-UHFFFAOYSA-N
• XLogP: 0.28
• TPSA: 203.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	478.52
LogP ≤ 5	0.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol?

The IUPAC name of 2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol (CID 126694489) is 2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol.

What is the SMILES notation for 2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol?

The canonical SMILES for 2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol is Nc1nc(NCC2CC(c3ccc4nc(N)nc(NC(CO)CO)c4n3)CO2)c2ncccc2n1.

What is the InChIKey of 2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol?

The InChIKey is NANZCGWMWZFBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N10O3/c23-21-29-15-2-1-5-25-17(15)19(31-21)26-7-13-6-11(10-35-13)14-3-4-16-18(28-14)20(32-22(24)30-16)27-12(8-33)9-34/h1-5,11-13,33-34H,6-10H2,(H3,23,26,29,31)(H3,24,27,30,32).

What are the key properties of 2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol?

2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol has a molecular weight of 478.52 g/mol, XLogP of 0.28, 8 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-amino-6-[5-[[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]methyl]oxolan-3-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]propane-1,3-diol is sourced from PubChem (CID 126694489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).