(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol

C17H25N5O4 — CID 11122039

IUPAC(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol
SMILESCCOC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C17H25N5O4/c1-2-25-7-11-13(23)14(24)17(26-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
InChIKeyBCRRZUTYWZJGKE-LSCFUAHRSA-N
MW363.42 g/mol
LogP0.84
Rot. Bonds6

About (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol (PubChem CID 11122039) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol
PubChem CID11122039
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol
SMILESCCOC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C17H25N5O4/c1-2-25-7-11-13(23)14(24)17(26-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
InChIKeyBCRRZUTYWZJGKE-LSCFUAHRSA-N
XLogP0.84
TPSA114.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol (CID 11122039) is (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol is CCOC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol?
The InChIKey is BCRRZUTYWZJGKE-LSCFUAHRSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-2-25-7-11-13(23)14(24)17(26-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol has a molecular weight of 363.42 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(ethoxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 11122039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).