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

C25H34ClN5O5 — CID 70692709

About (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-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-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride (PubChem CID 70692709) has the molecular formula C25H34ClN5O5 and a molecular weight of 520.03 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-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-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
• PubChem CID: 70692709
• Molecular Formula: C25H34ClN5O5
• Molecular Weight: 520.03 g/mol
• Exact Mass: 519.22
• IUPAC Name: (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
• SMILES: CCOc1cc2cc(-c3c(C)nc(NCC4CC4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1.Cl
• InChI: InChI=1S/C25H33N5O5.ClH/c1-4-34-19-9-15-8-18(35-23(15)13(3)27-19)20-12(2)28-25(26-10-14-5-6-14)30-24(20)29-17-7-16(11-31)21(32)22(17)33;/h8-9,14,16-17,21-22,31-33H,4-7,10-11H2,1-3H3,(H2,26,28,29,30);1H/t16-,17-,21-,22+;/m1./s1
• InChIKey: HMRVSXQPJDEDDT-SYYVJMEDSA-N
• XLogP: 3.06
• TPSA: 145.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.03
LogP ≤ 5	3.06
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-(cyclopropylmethylamino)-5-(5-ethoxy-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-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride (CID 70692709) is (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-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-(cyclopropylmethylamino)-5-(5-ethoxy-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-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride is CCOc1cc2cc(-c3c(C)nc(NCC4CC4)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-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride?

The InChIKey is HMRVSXQPJDEDDT-SYYVJMEDSA-N. The full InChI is InChI=1S/C25H33N5O5.ClH/c1-4-34-19-9-15-8-18(35-23(15)13(3)27-19)20-12(2)28-25(26-10-14-5-6-14)30-24(20)29-17-7-16(11-31)21(32)22(17)33;/h8-9,14,16-17,21-22,31-33H,4-7,10-11H2,1-3H3,(H2,26,28,29,30);1H/t16-,17-,21-,22+;/m1./s1.

What are the key properties of (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-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-(cyclopropylmethylamino)-5-(5-ethoxy-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 520.03 g/mol, XLogP of 3.06, 9 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-(cyclopropylmethylamino)-5-(5-ethoxy-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 70692709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).