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

C24H34ClN5O6 — CID 70696802

IUPAC(1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
SMILESCCOc1cc2cc(-c3c(C)nc(NCCOC)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1.Cl
InChIInChI=1S/C24H33N5O6.ClH/c1-5-34-18-10-14-9-17(35-22(14)13(3)26-18)19-12(2)27-24(25-6-7-33-4)29-23(19)28-16-8-15(11-30)20(31)21(16)32;/h9-10,15-16,20-21,30-32H,5-8,11H2,1-4H3,(H2,25,27,28,29);1H/t15-,16-,20-,21+;/m1./s1
InChIKeyFEVNOPXWFXZLEO-UGELVALNSA-N
MW524.02 g/mol
LogP2.29
Rot. Bonds10

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

(1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride (PubChem CID 70696802) has the molecular formula C24H34ClN5O6 and a molecular weight of 524.02 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
PubChem CID70696802
Molecular FormulaC24H34ClN5O6
Molecular Weight524.02 g/mol
Exact Mass523.22
IUPAC Name(1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
SMILESCCOc1cc2cc(-c3c(C)nc(NCCOC)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1.Cl
InChIInChI=1S/C24H33N5O6.ClH/c1-5-34-18-10-14-9-17(35-22(14)13(3)26-18)19-12(2)27-24(25-6-7-33-4)29-23(19)28-16-8-15(11-30)20(31)21(16)32;/h9-10,15-16,20-21,30-32H,5-8,11H2,1-4H3,(H2,25,27,28,29);1H/t15-,16-,20-,21+;/m1./s1
InChIKeyFEVNOPXWFXZLEO-UGELVALNSA-N
XLogP2.29
TPSA155.02 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.02
LogP ≤ 52.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride?
The IUPAC name of (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride (CID 70696802) is (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride.
What is the SMILES notation for (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride?
The canonical SMILES for (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride is CCOc1cc2cc(-c3c(C)nc(NCCOC)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-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride?
The InChIKey is FEVNOPXWFXZLEO-UGELVALNSA-N. The full InChI is InChI=1S/C24H33N5O6.ClH/c1-5-34-18-10-14-9-17(35-22(14)13(3)26-18)19-12(2)27-24(25-6-7-33-4)29-23(19)28-16-8-15(11-30)20(31)21(16)32;/h9-10,15-16,20-21,30-32H,5-8,11H2,1-4H3,(H2,25,27,28,29);1H/t15-,16-,20-,21+;/m1./s1.
What are the key properties of (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride?
(1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride has a molecular weight of 524.02 g/mol, XLogP of 2.29, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride is sourced from PubChem (CID 70696802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).