[2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol

C12H15N5O3 — CID 66997873

IUPAC[2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
SMILESCOc1nc(N)nc2nc(C=C3CC3(CO)CO)[nH]c12
InChIInChI=1S/C12H15N5O3/c1-20-10-8-9(16-11(13)17-10)15-7(14-8)2-6-3-12(6,4-18)5-19/h2,18-19H,3-5H2,1H3,(H3,13,14,15,16,17)
InChIKeyRMTPBLSUZMTUMJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.30
Rot. Bonds4

About [2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol

[2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 66997873) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is [2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
PubChem CID66997873
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name[2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
SMILESCOc1nc(N)nc2nc(C=C3CC3(CO)CO)[nH]c12
InChIInChI=1S/C12H15N5O3/c1-20-10-8-9(16-11(13)17-10)15-7(14-8)2-6-3-12(6,4-18)5-19/h2,18-19H,3-5H2,1H3,(H3,13,14,15,16,17)
InChIKeyRMTPBLSUZMTUMJ-UHFFFAOYSA-N
XLogP-0.30
TPSA130.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of [2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol (CID 66997873) is [2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for [2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol is COc1nc(N)nc2nc(C=C3CC3(CO)CO)[nH]c12.
What is the InChIKey of [2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is RMTPBLSUZMTUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-20-10-8-9(16-11(13)17-10)15-7(14-8)2-6-3-12(6,4-18)5-19/h2,18-19H,3-5H2,1H3,(H3,13,14,15,16,17).
What are the key properties of [2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
[2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 277.28 g/mol, XLogP of -0.30, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-amino-6-methoxy-7H-purin-8-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 66997873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).