(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride

C21H28ClN5O5 — CID 70694763

About (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride

(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride (PubChem CID 70694763) has the molecular formula C21H28ClN5O5 and a molecular weight of 465.94 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride.

Molecular Properties

• Compound Name: (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride
• PubChem CID: 70694763
• Molecular Formula: C21H28ClN5O5
• Molecular Weight: 465.94 g/mol
• Exact Mass: 465.18
• IUPAC Name: (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride
• SMILES: CNc1nc(C)c(-c2cc3cc(OC)nc(C)c3o2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1.Cl
• InChI: InChI=1S/C21H27N5O5.ClH/c1-9-16(14-6-11-7-15(30-4)23-10(2)19(11)31-14)20(26-21(22-3)24-9)25-13-5-12(8-27)17(28)18(13)29;/h6-7,12-13,17-18,27-29H,5,8H2,1-4H3,(H2,22,24,25,26);1H/t12-,13-,17-,18+;/m1./s1
• InChIKey: XOOXHQJVNJIETG-RPUZXPOYSA-N
• XLogP: 1.89
• TPSA: 145.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.94
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride?

The IUPAC name of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride (CID 70694763) is (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride.

What is the SMILES notation for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride?

The canonical SMILES for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride is CNc1nc(C)c(-c2cc3cc(OC)nc(C)c3o2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1.Cl.

What is the InChIKey of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride?

The InChIKey is XOOXHQJVNJIETG-RPUZXPOYSA-N. The full InChI is InChI=1S/C21H27N5O5.ClH/c1-9-16(14-6-11-7-15(30-4)23-10(2)19(11)31-14)20(26-21(22-3)24-9)25-13-5-12(8-27)17(28)18(13)29;/h6-7,12-13,17-18,27-29H,5,8H2,1-4H3,(H2,22,24,25,26);1H/t12-,13-,17-,18+;/m1./s1.

What are the key properties of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride?

(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride has a molecular weight of 465.94 g/mol, XLogP of 1.89, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride is sourced from PubChem (CID 70694763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).