[(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol

C14H17N5O2 — CID 3006045

IUPAC[(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol
SMILESNc1nc(OCC2CC2)c2ncn(/C=C3/C[C@@H]3CO)c2n1
InChIInChI=1S/C14H17N5O2/c15-14-17-12-11(13(18-14)21-6-8-1-2-8)16-7-19(12)4-9-3-10(9)5-20/h4,7-8,10,20H,1-3,5-6H2,(H2,15,17,18)/b9-4-/t10-/m1/s1
InChIKeyKGWBYJFWZNITGI-ZUYFITGHSA-N
MW287.32 g/mol
LogP1.05
Rot. Bonds5

About [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol

[(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol (PubChem CID 3006045) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol
PubChem CID3006045
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name[(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol
SMILESNc1nc(OCC2CC2)c2ncn(/C=C3/C[C@@H]3CO)c2n1
InChIInChI=1S/C14H17N5O2/c15-14-17-12-11(13(18-14)21-6-8-1-2-8)16-7-19(12)4-9-3-10(9)5-20/h4,7-8,10,20H,1-3,5-6H2,(H2,15,17,18)/b9-4-/t10-/m1/s1
InChIKeyKGWBYJFWZNITGI-ZUYFITGHSA-N
XLogP1.05
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol 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 [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol?
The IUPAC name of [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol (CID 3006045) is [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol?
The canonical SMILES for [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol is Nc1nc(OCC2CC2)c2ncn(/C=C3/C[C@@H]3CO)c2n1.
What is the InChIKey of [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol?
The InChIKey is KGWBYJFWZNITGI-ZUYFITGHSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-14-17-12-11(13(18-14)21-6-8-1-2-8)16-7-19(12)4-9-3-10(9)5-20/h4,7-8,10,20H,1-3,5-6H2,(H2,15,17,18)/b9-4-/t10-/m1/s1.
What are the key properties of [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol?
[(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol has a molecular weight of 287.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2Z)-2-[[2-amino-6-(cyclopropylmethoxy)purin-9-yl]methylidene]cyclopropyl]methanol is sourced from PubChem (CID 3006045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).