(2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol

C14H22N6O4 — CID 71004119

IUPAC(2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol
SMILESCC(O)C(O)[C@@H](CO)OCn1cnc2c(NC3CC3)nc(N)nc21
InChIInChI=1S/C14H22N6O4/c1-7(22)11(23)9(4-21)24-6-20-5-16-10-12(17-8-2-3-8)18-14(15)19-13(10)20/h5,7-9,11,21-23H,2-4,6H2,1H3,(H3,15,17,18,19)/t7?,9-,11?/m1/s1
InChIKeyCGMRZYWNPQEYKV-PUDKOPFASA-N
MW338.37 g/mol
LogP-0.94
Rot. Bonds8

About (2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol

(2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol (PubChem CID 71004119) has the molecular formula C14H22N6O4 and a molecular weight of 338.37 g/mol. Its IUPAC name is (2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol.

Molecular Properties

Compound Name(2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol
PubChem CID71004119
Molecular FormulaC14H22N6O4
Molecular Weight338.37 g/mol
Exact Mass338.17
IUPAC Name(2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol
SMILESCC(O)C(O)[C@@H](CO)OCn1cnc2c(NC3CC3)nc(N)nc21
InChIInChI=1S/C14H22N6O4/c1-7(22)11(23)9(4-21)24-6-20-5-16-10-12(17-8-2-3-8)18-14(15)19-13(10)20/h5,7-9,11,21-23H,2-4,6H2,1H3,(H3,15,17,18,19)/t7?,9-,11?/m1/s1
InChIKeyCGMRZYWNPQEYKV-PUDKOPFASA-N
XLogP-0.94
TPSA151.57 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 5-0.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol?
The IUPAC name of (2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol (CID 71004119) is (2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol.
What is the SMILES notation for (2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol?
The canonical SMILES for (2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol is CC(O)C(O)[C@@H](CO)OCn1cnc2c(NC3CC3)nc(N)nc21.
What is the InChIKey of (2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol?
The InChIKey is CGMRZYWNPQEYKV-PUDKOPFASA-N. The full InChI is InChI=1S/C14H22N6O4/c1-7(22)11(23)9(4-21)24-6-20-5-16-10-12(17-8-2-3-8)18-14(15)19-13(10)20/h5,7-9,11,21-23H,2-4,6H2,1H3,(H3,15,17,18,19)/t7?,9-,11?/m1/s1.
What are the key properties of (2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol?
(2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol has a molecular weight of 338.37 g/mol, XLogP of -0.94, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol is sourced from PubChem (CID 71004119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).