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

C13H17N5O2 — CID 3006040

IUPAC[(1S,2Z)-2-[(2-amino-6-propoxypurin-9-yl)methylidene]cyclopropyl]methanol
SMILESCCCOc1nc(N)nc2c1ncn2/C=C1/C[C@@H]1CO
InChIInChI=1S/C13H17N5O2/c1-2-3-20-12-10-11(16-13(14)17-12)18(7-15-10)5-8-4-9(8)6-19/h5,7,9,19H,2-4,6H2,1H3,(H2,14,16,17)/b8-5-/t9-/m1/s1
InChIKeyASVCXCHMJUXKSJ-BZJXQOFCSA-N
MW275.31 g/mol
LogP1.05
Rot. Bonds5

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

[(1S,2Z)-2-[(2-amino-6-propoxypurin-9-yl)methylidene]cyclopropyl]methanol (PubChem CID 3006040) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is [(1S,2Z)-2-[(2-amino-6-propoxypurin-9-yl)methylidene]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2Z)-2-[(2-amino-6-propoxypurin-9-yl)methylidene]cyclopropyl]methanol
PubChem CID3006040
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name[(1S,2Z)-2-[(2-amino-6-propoxypurin-9-yl)methylidene]cyclopropyl]methanol
SMILESCCCOc1nc(N)nc2c1ncn2/C=C1/C[C@@H]1CO
InChIInChI=1S/C13H17N5O2/c1-2-3-20-12-10-11(16-13(14)17-12)18(7-15-10)5-8-4-9(8)6-19/h5,7,9,19H,2-4,6H2,1H3,(H2,14,16,17)/b8-5-/t9-/m1/s1
InChIKeyASVCXCHMJUXKSJ-BZJXQOFCSA-N
XLogP1.05
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1S,2Z)-2-[(2-amino-6-propoxypurin-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-propoxypurin-9-yl)methylidene]cyclopropyl]methanol?
The IUPAC name of [(1S,2Z)-2-[(2-amino-6-propoxypurin-9-yl)methylidene]cyclopropyl]methanol (CID 3006040) is [(1S,2Z)-2-[(2-amino-6-propoxypurin-9-yl)methylidene]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2Z)-2-[(2-amino-6-propoxypurin-9-yl)methylidene]cyclopropyl]methanol?
The canonical SMILES for [(1S,2Z)-2-[(2-amino-6-propoxypurin-9-yl)methylidene]cyclopropyl]methanol is CCCOc1nc(N)nc2c1ncn2/C=C1/C[C@@H]1CO.
What is the InChIKey of [(1S,2Z)-2-[(2-amino-6-propoxypurin-9-yl)methylidene]cyclopropyl]methanol?
The InChIKey is ASVCXCHMJUXKSJ-BZJXQOFCSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-3-20-12-10-11(16-13(14)17-12)18(7-15-10)5-8-4-9(8)6-19/h5,7,9,19H,2-4,6H2,1H3,(H2,14,16,17)/b8-5-/t9-/m1/s1.
What are the key properties of [(1S,2Z)-2-[(2-amino-6-propoxypurin-9-yl)methylidene]cyclopropyl]methanol?
[(1S,2Z)-2-[(2-amino-6-propoxypurin-9-yl)methylidene]cyclopropyl]methanol has a molecular weight of 275.31 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-propoxypurin-9-yl)methylidene]cyclopropyl]methanol is sourced from PubChem (CID 3006040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).