8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one

C9H9N5O2 — CID 118797188

IUPAC8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one
SMILESCC1CC(O)n2c(nc3c(c2=O)=NC=N3)=N1
InChIInChI=1S/C9H9N5O2/c1-4-2-5(15)14-8(16)6-7(11-3-10-6)13-9(14)12-4/h3-5,15H,2H2,1H3
InChIKeyWFWAFZMQOCVSTH-UHFFFAOYSA-N
MW219.20 g/mol
LogP-1.56
Rot. Bonds

About 8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one

8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one (PubChem CID 118797188) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one.

Molecular Properties

Compound Name8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one
PubChem CID118797188
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one
SMILESCC1CC(O)n2c(nc3c(c2=O)=NC=N3)=N1
InChIInChI=1S/C9H9N5O2/c1-4-2-5(15)14-8(16)6-7(11-3-10-6)13-9(14)12-4/h3-5,15H,2H2,1H3
InChIKeyWFWAFZMQOCVSTH-UHFFFAOYSA-N
XLogP-1.56
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-Hydroxypropyl)purine-2,6-dione
CID 152047013
8-(4-Hydroxybutan-2-ylimino)-1,3-dimethylpurine-2,6-dione
CID 137288192

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one?
The IUPAC name of 8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one (CID 118797188) is 8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one.
What is the SMILES notation for 8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one?
The canonical SMILES for 8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one is CC1CC(O)n2c(nc3c(c2=O)=NC=N3)=N1.
What is the InChIKey of 8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one?
The InChIKey is WFWAFZMQOCVSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-4-2-5(15)14-8(16)6-7(11-3-10-6)13-9(14)12-4/h3-5,15H,2H2,1H3.
What are the key properties of 8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one?
8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one has a molecular weight of 219.20 g/mol, XLogP of -1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-methyl-7,8-dihydro-6H-pyrimido[1,2-a]purin-10-one is sourced from PubChem (CID 118797188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).