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

C12H15N5O3 — CID 3006050

IUPAC[(2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
SMILESCOc1nc(N)nc2c1ncn2/C=C1/CC1(CO)CO
InChIInChI=1S/C12H15N5O3/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-
InChIKeySIPMZEDNTNWSPI-CLTKARDFSA-N
MW277.28 g/mol
LogP-0.37
Rot. Bonds4

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

[(2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 3006050) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is [(2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
PubChem CID3006050
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name[(2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
SMILESCOc1nc(N)nc2c1ncn2/C=C1/CC1(CO)CO
InChIInChI=1S/C12H15N5O3/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-
InChIKeySIPMZEDNTNWSPI-CLTKARDFSA-N
XLogP-0.37
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.37
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-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of [(2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol (CID 3006050) is [(2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [(2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for [(2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol is COc1nc(N)nc2c1ncn2/C=C1/CC1(CO)CO.
What is the InChIKey of [(2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is SIPMZEDNTNWSPI-CLTKARDFSA-N. The full InChI is InChI=1S/C12H15N5O3/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-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
[(2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 277.28 g/mol, XLogP of -0.37, 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-methoxypurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 3006050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).