8-methyl-1-pyridin-4-yl-7H-purin-6-one

C11H9N5O — CID 142544814

IUPAC8-methyl-1-pyridin-4-yl-7H-purin-6-one
SMILESCc1nc2ncn(-c3ccncc3)c(=O)c2[nH]1
InChIInChI=1S/C11H9N5O/c1-7-14-9-10(15-7)13-6-16(11(9)17)8-2-4-12-5-3-8/h2-6H,1H3,(H,14,15)
InChIKeyHUPBHDCTDDRSGD-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.81
Rot. Bonds1

About 8-methyl-1-pyridin-4-yl-7H-purin-6-one

8-methyl-1-pyridin-4-yl-7H-purin-6-one (PubChem CID 142544814) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 8-methyl-1-pyridin-4-yl-7H-purin-6-one.

Molecular Properties

Compound Name8-methyl-1-pyridin-4-yl-7H-purin-6-one
PubChem CID142544814
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name8-methyl-1-pyridin-4-yl-7H-purin-6-one
SMILESCc1nc2ncn(-c3ccncc3)c(=O)c2[nH]1
InChIInChI=1S/C11H9N5O/c1-7-14-9-10(15-7)13-6-16(11(9)17)8-2-4-12-5-3-8/h2-6H,1H3,(H,14,15)
InChIKeyHUPBHDCTDDRSGD-UHFFFAOYSA-N
XLogP0.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-pyridin-4-yl-7H-purin-6-one?
The IUPAC name of 8-methyl-1-pyridin-4-yl-7H-purin-6-one (CID 142544814) is 8-methyl-1-pyridin-4-yl-7H-purin-6-one.
What is the SMILES notation for 8-methyl-1-pyridin-4-yl-7H-purin-6-one?
The canonical SMILES for 8-methyl-1-pyridin-4-yl-7H-purin-6-one is Cc1nc2ncn(-c3ccncc3)c(=O)c2[nH]1.
What is the InChIKey of 8-methyl-1-pyridin-4-yl-7H-purin-6-one?
The InChIKey is HUPBHDCTDDRSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-14-9-10(15-7)13-6-16(11(9)17)8-2-4-12-5-3-8/h2-6H,1H3,(H,14,15).
What are the key properties of 8-methyl-1-pyridin-4-yl-7H-purin-6-one?
8-methyl-1-pyridin-4-yl-7H-purin-6-one has a molecular weight of 227.23 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-pyridin-4-yl-7H-purin-6-one is sourced from PubChem (CID 142544814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).