[(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol

C12H15N5O2S — CID 70696460

IUPAC[(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
SMILESCSc1nc(N)nc2c1ncn2/C=C1/CC1(CO)CO
InChIInChI=1S/C12H15N5O2S/c1-20-10-8-9(15-11(13)16-10)17(6-14-8)3-7-2-12(7,4-18)5-19/h3,6,18-19H,2,4-5H2,1H3,(H2,13,15,16)/b7-3-
InChIKeyFMISNJKOOJHFMV-CLTKARDFSA-N
MW293.35 g/mol
LogP0.35
Rot. Bonds4

About [(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol

[(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 70696460) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is [(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
PubChem CID70696460
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name[(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
SMILESCSc1nc(N)nc2c1ncn2/C=C1/CC1(CO)CO
InChIInChI=1S/C12H15N5O2S/c1-20-10-8-9(15-11(13)16-10)17(6-14-8)3-7-2-12(7,4-18)5-19/h3,6,18-19H,2,4-5H2,1H3,(H2,13,15,16)/b7-3-
InChIKeyFMISNJKOOJHFMV-CLTKARDFSA-N
XLogP0.35
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of [(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol (CID 70696460) is [(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for [(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol is CSc1nc(N)nc2c1ncn2/C=C1/CC1(CO)CO.
What is the InChIKey of [(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is FMISNJKOOJHFMV-CLTKARDFSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-20-10-8-9(15-11(13)16-10)17(6-14-8)3-7-2-12(7,4-18)5-19/h3,6,18-19H,2,4-5H2,1H3,(H2,13,15,16)/b7-3-.
What are the key properties of [(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
[(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 293.35 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-[(2-amino-6-methylsulfanylpurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 70696460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).