2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one

C10H11N5O2 — CID 67632343

IUPAC2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one
SMILESNc1nc2nc[nH]c2c(=O)n1/C=C1\CC1CO
InChIInChI=1S/C10H11N5O2/c11-10-14-8-7(12-4-13-8)9(17)15(10)2-5-1-6(5)3-16/h2,4,6,16H,1,3H2,(H2,11,14)(H,12,13)/b5-2+
InChIKeyYYLUINUEOMBIMZ-GORDUTHDSA-N
MW233.23 g/mol
LogP-0.45
Rot. Bonds2

About 2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one

2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one (PubChem CID 67632343) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one.

Molecular Properties

Compound Name2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one
PubChem CID67632343
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one
SMILESNc1nc2nc[nH]c2c(=O)n1/C=C1\CC1CO
InChIInChI=1S/C10H11N5O2/c11-10-14-8-7(12-4-13-8)9(17)15(10)2-5-1-6(5)3-16/h2,4,6,16H,1,3H2,(H2,11,14)(H,12,13)/b5-2+
InChIKeyYYLUINUEOMBIMZ-GORDUTHDSA-N
XLogP-0.45
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2-amino-1-hydroxy-7H-purin-6-one);hydrate
CID 67908400
1,2-diamino-7H-purin-6-one
CID 15628862
2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one
CID 70210832
2-amino-1-ethyl-7H-purin-6-one
CID 18378033
2-amino-1-cyclopentyl-7H-purin-6-one
CID 71283680
2-amino-1-[(2R,5S)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-6-one
CID 22211123
2-amino-1-(1-cyclopropyl-2,2-dihydroxyethyl)-7H-purin-6-one
CID 69471495
2-amino-1-[4-hydroxy-2-(hydroxymethyl)butyl]-7H-purin-6-one
CID 66740137
2-amino-1-ethoxy-7H-purin-6-one
CID 174590702
2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one
CID 118455615
1-(6-amino-7H-purin-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663911
2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
CID 135856560

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one?
The IUPAC name of 2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one (CID 67632343) is 2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one.
What is the SMILES notation for 2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one?
The canonical SMILES for 2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one is Nc1nc2nc[nH]c2c(=O)n1/C=C1\CC1CO.
What is the InChIKey of 2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one?
The InChIKey is YYLUINUEOMBIMZ-GORDUTHDSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-10-14-8-7(12-4-13-8)9(17)15(10)2-5-1-6(5)3-16/h2,4,6,16H,1,3H2,(H2,11,14)(H,12,13)/b5-2+.
What are the key properties of 2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one?
2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one has a molecular weight of 233.23 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(E)-[2-(hydroxymethyl)cyclopropylidene]methyl]-7H-purin-6-one is sourced from PubChem (CID 67632343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).