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

C25H36ClN5O5 — CID 70696793

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

(1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride (PubChem CID 70696793) has the molecular formula C25H36ClN5O5 and a molecular weight of 522.05 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride.

Molecular Properties

• Compound Name: (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
• PubChem CID: 70696793
• Molecular Formula: C25H36ClN5O5
• Molecular Weight: 522.05 g/mol
• Exact Mass: 521.24
• IUPAC Name: (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
• SMILES: COc1cc2cc(-c3c(C)nc(NCC(C)(C)C)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1.Cl
• InChI: InChI=1S/C25H35N5O5.ClH/c1-12-19(17-8-14-9-18(34-6)27-13(2)22(14)35-17)23(30-24(28-12)26-11-25(3,4)5)29-16-7-15(10-31)20(32)21(16)33;/h8-9,15-16,20-21,31-33H,7,10-11H2,1-6H3,(H2,26,28,29,30);1H/t15-,16-,20-,21+;/m1./s1
• InChIKey: AQYZRABTFSZONI-UGELVALNSA-N
• XLogP: 3.30
• TPSA: 145.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.05
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride (CID 70696793) is (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride.

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

The canonical SMILES for (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride is COc1cc2cc(-c3c(C)nc(NCC(C)(C)C)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1.Cl.

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

The InChIKey is AQYZRABTFSZONI-UGELVALNSA-N. The full InChI is InChI=1S/C25H35N5O5.ClH/c1-12-19(17-8-14-9-18(34-6)27-13(2)22(14)35-17)23(30-24(28-12)26-11-25(3,4)5)29-16-7-15(10-31)20(32)21(16)33;/h8-9,15-16,20-21,31-33H,7,10-11H2,1-6H3,(H2,26,28,29,30);1H/t15-,16-,20-,21+;/m1./s1.

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

(1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride has a molecular weight of 522.05 g/mol, XLogP of 3.30, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride is sourced from PubChem (CID 70696793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).