2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one

C9H11N5O2 — CID 139843153

IUPAC2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one
SMILESO=c1[nH]c(NC2CCCO2)nc2nc[nH]c12
InChIInChI=1S/C9H11N5O2/c15-8-6-7(11-4-10-6)13-9(14-8)12-5-2-1-3-16-5/h4-5H,1-3H2,(H3,10,11,12,13,14,15)
InChIKeyLWRPXOQEUXIQFN-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.19
Rot. Bonds2

About 2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one

2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one (PubChem CID 139843153) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one
PubChem CID139843153
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one
SMILESO=c1[nH]c(NC2CCCO2)nc2nc[nH]c12
InChIInChI=1S/C9H11N5O2/c15-8-6-7(11-4-10-6)13-9(14-8)12-5-2-1-3-16-5/h4-5H,1-3H2,(H3,10,11,12,13,14,15)
InChIKeyLWRPXOQEUXIQFN-UHFFFAOYSA-N
XLogP0.19
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one?
The IUPAC name of 2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one (CID 139843153) is 2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one?
The canonical SMILES for 2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one is O=c1[nH]c(NC2CCCO2)nc2nc[nH]c12.
What is the InChIKey of 2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one?
The InChIKey is LWRPXOQEUXIQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c15-8-6-7(11-4-10-6)13-9(14-8)12-5-2-1-3-16-5/h4-5H,1-3H2,(H3,10,11,12,13,14,15).
What are the key properties of 2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one?
2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one has a molecular weight of 221.22 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylamino)-1,7-dihydropurin-6-one is sourced from PubChem (CID 139843153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).