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

C11H13N5O2 — CID 3002846

IUPAC[(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol
SMILESCOc1nc(N)nc2c1ncn2/C=C1/C[C@@H]1CO
InChIInChI=1S/C11H13N5O2/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)3-6-2-7(6)4-17/h3,5,7,17H,2,4H2,1H3,(H2,12,14,15)/b6-3-/t7-/m1/s1
InChIKeyMGYFWNHVAGZCRJ-FXHNIGACSA-N
MW247.26 g/mol
LogP0.27
Rot. Bonds3

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

[(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol (PubChem CID 3002846) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is [(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol
PubChem CID3002846
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name[(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol
SMILESCOc1nc(N)nc2c1ncn2/C=C1/C[C@@H]1CO
InChIInChI=1S/C11H13N5O2/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)3-6-2-7(6)4-17/h3,5,7,17H,2,4H2,1H3,(H2,12,14,15)/b6-3-/t7-/m1/s1
InChIKeyMGYFWNHVAGZCRJ-FXHNIGACSA-N
XLogP0.27
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol?
The IUPAC name of [(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol (CID 3002846) is [(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol?
The canonical SMILES for [(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol is COc1nc(N)nc2c1ncn2/C=C1/C[C@@H]1CO.
What is the InChIKey of [(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol?
The InChIKey is MGYFWNHVAGZCRJ-FXHNIGACSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)3-6-2-7(6)4-17/h3,5,7,17H,2,4H2,1H3,(H2,12,14,15)/b6-3-/t7-/m1/s1.
What are the key properties of [(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol?
[(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol has a molecular weight of 247.26 g/mol, XLogP of 0.27, 3 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-methoxypurin-9-yl)methylidene]cyclopropyl]methanol is sourced from PubChem (CID 3002846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).