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

C10H13N5O2 — CID 70210832

IUPAC2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one
SMILESNc1nc2nc[nH]c2c(=O)n1CC1(CO)CC1
InChIInChI=1S/C10H13N5O2/c11-9-14-7-6(12-5-13-7)8(17)15(9)3-10(4-16)1-2-10/h5,16H,1-4H2,(H2,11,14)(H,12,13)
InChIKeyPAYBCSKPYATLIJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.53
Rot. Bonds3

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

2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one (PubChem CID 70210832) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one.

Molecular Properties

Compound Name2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one
PubChem CID70210832
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one
SMILESNc1nc2nc[nH]c2c(=O)n1CC1(CO)CC1
InChIInChI=1S/C10H13N5O2/c11-9-14-7-6(12-5-13-7)8(17)15(9)3-10(4-16)1-2-10/h5,16H,1-4H2,(H2,11,14)(H,12,13)
InChIKeyPAYBCSKPYATLIJ-UHFFFAOYSA-N
XLogP-0.53
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one?
The IUPAC name of 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one (CID 70210832) is 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one.
What is the SMILES notation for 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one?
The canonical SMILES for 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one is Nc1nc2nc[nH]c2c(=O)n1CC1(CO)CC1.
What is the InChIKey of 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one?
The InChIKey is PAYBCSKPYATLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-9-14-7-6(12-5-13-7)8(17)15(9)3-10(4-16)1-2-10/h5,16H,1-4H2,(H2,11,14)(H,12,13).
What are the key properties of 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one?
2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one has a molecular weight of 235.25 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one is sourced from PubChem (CID 70210832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).