8-amino-6-cyclopropyl-1,7-dihydropurin-2-one

C8H9N5O — CID 150798826

IUPAC8-amino-6-cyclopropyl-1,7-dihydropurin-2-one
SMILESNc1nc2nc(=O)[nH]c(C3CC3)c2[nH]1
InChIInChI=1S/C8H9N5O/c9-7-10-5-4(3-1-2-3)11-8(14)13-6(5)12-7/h3H,1-2H2,(H4,9,10,11,12,13,14)
InChIKeyKFKKFPYQRSHOHV-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.11
Rot. Bonds1

About 8-amino-6-cyclopropyl-1,7-dihydropurin-2-one

8-amino-6-cyclopropyl-1,7-dihydropurin-2-one (PubChem CID 150798826) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 8-amino-6-cyclopropyl-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name8-amino-6-cyclopropyl-1,7-dihydropurin-2-one
PubChem CID150798826
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name8-amino-6-cyclopropyl-1,7-dihydropurin-2-one
SMILESNc1nc2nc(=O)[nH]c(C3CC3)c2[nH]1
InChIInChI=1S/C8H9N5O/c9-7-10-5-4(3-1-2-3)11-8(14)13-6(5)12-7/h3H,1-2H2,(H4,9,10,11,12,13,14)
InChIKeyKFKKFPYQRSHOHV-UHFFFAOYSA-N
XLogP0.11
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-cyclopropyl-1,7-dihydropurin-2-one?
The IUPAC name of 8-amino-6-cyclopropyl-1,7-dihydropurin-2-one (CID 150798826) is 8-amino-6-cyclopropyl-1,7-dihydropurin-2-one.
What is the SMILES notation for 8-amino-6-cyclopropyl-1,7-dihydropurin-2-one?
The canonical SMILES for 8-amino-6-cyclopropyl-1,7-dihydropurin-2-one is Nc1nc2nc(=O)[nH]c(C3CC3)c2[nH]1.
What is the InChIKey of 8-amino-6-cyclopropyl-1,7-dihydropurin-2-one?
The InChIKey is KFKKFPYQRSHOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-7-10-5-4(3-1-2-3)11-8(14)13-6(5)12-7/h3H,1-2H2,(H4,9,10,11,12,13,14).
What are the key properties of 8-amino-6-cyclopropyl-1,7-dihydropurin-2-one?
8-amino-6-cyclopropyl-1,7-dihydropurin-2-one has a molecular weight of 191.19 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-cyclopropyl-1,7-dihydropurin-2-one is sourced from PubChem (CID 150798826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).