(1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C24H33N5O5 — CID 58570859

IUPAC(1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCCOCCNc1nc(C)c(-c2cc3cc(CC)ncc3o2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C24H33N5O5/c1-4-16-8-14-10-18(34-19(14)11-26-16)20-13(3)27-24(25-6-7-33-5-2)29-23(20)28-17-9-15(12-30)21(31)22(17)32/h8,10-11,15,17,21-22,30-32H,4-7,9,12H2,1-3H3,(H2,25,27,28,29)/t15-,17-,21-,22+/m1/s1
InChIKeyQSNGQOAMVXHPCW-VIDZHXABSA-N
MW471.56 g/mol
LogP2.12
Rot. Bonds10

About (1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 58570859) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID58570859
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Name(1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCCOCCNc1nc(C)c(-c2cc3cc(CC)ncc3o2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C24H33N5O5/c1-4-16-8-14-10-18(34-19(14)11-26-16)20-13(3)27-24(25-6-7-33-5-2)29-23(20)28-17-9-15(12-30)21(31)22(17)32/h8,10-11,15,17,21-22,30-32H,4-7,9,12H2,1-3H3,(H2,25,27,28,29)/t15-,17-,21-,22+/m1/s1
InChIKeyQSNGQOAMVXHPCW-VIDZHXABSA-N
XLogP2.12
TPSA145.79 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 52.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 58570859) is (1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is CCOCCNc1nc(C)c(-c2cc3cc(CC)ncc3o2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of (1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is QSNGQOAMVXHPCW-VIDZHXABSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-4-16-8-14-10-18(34-19(14)11-26-16)20-13(3)27-24(25-6-7-33-5-2)29-23(20)28-17-9-15(12-30)21(31)22(17)32/h8,10-11,15,17,21-22,30-32H,4-7,9,12H2,1-3H3,(H2,25,27,28,29)/t15-,17-,21-,22+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[[2-(2-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 471.56 g/mol, XLogP of 2.12, 10 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-ethoxyethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 58570859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).