8-pyridin-4-yl-1,7-dihydropurin-6-one

C10H7N5O — CID 135672354

IUPAC8-pyridin-4-yl-1,7-dihydropurin-6-one
SMILESO=c1[nH]cnc2nc(-c3ccncc3)[nH]c12
InChIInChI=1S/C10H7N5O/c16-10-7-9(12-5-13-10)15-8(14-7)6-1-3-11-4-2-6/h1-5H,(H2,12,13,14,15,16)
InChIKeyFDULSKVMCDBNMC-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.71
Rot. Bonds1

About 8-pyridin-4-yl-1,7-dihydropurin-6-one

8-pyridin-4-yl-1,7-dihydropurin-6-one (PubChem CID 135672354) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 8-pyridin-4-yl-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name8-pyridin-4-yl-1,7-dihydropurin-6-one
PubChem CID135672354
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name8-pyridin-4-yl-1,7-dihydropurin-6-one
SMILESO=c1[nH]cnc2nc(-c3ccncc3)[nH]c12
InChIInChI=1S/C10H7N5O/c16-10-7-9(12-5-13-10)15-8(14-7)6-1-3-11-4-2-6/h1-5H,(H2,12,13,14,15,16)
InChIKeyFDULSKVMCDBNMC-UHFFFAOYSA-N
XLogP0.71
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-4-yl-3H-pteridin-4-one
CID 135932000
2-phenyl-1,7-dihydropurin-6-one
CID 135531822
6-oxo-1,7-dihydropurine-8-carbonitrile
CID 135559145
4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide
CID 137186641
1,7-dihydropurin-6-one
CID 135546991
N,N-dimethylformamide;8-(3-nitrophenyl)-1,7-dihydropurin-6-one
CID 135491109
(6-oxo-1,7-dihydropurin-8-yl) thiocyanate
CID 136951542
3,5-dihydropteridine-4,6-dione
CID 135755313
azane;1,7-dihydropurin-6-one
CID 158320966
6-oxo-1,7-dihydropurine-8-sulfonamide
CID 135422177
2-(pyridin-4-ylmethylsulfanyl)-1,7-dihydropurin-6-one
CID 135999044
5-methyl-2,4-dipyridin-4-yl-1H-pyrimidin-6-one
CID 135581354

Frequently Asked Questions

What is the IUPAC name of 8-pyridin-4-yl-1,7-dihydropurin-6-one?
The IUPAC name of 8-pyridin-4-yl-1,7-dihydropurin-6-one (CID 135672354) is 8-pyridin-4-yl-1,7-dihydropurin-6-one.
What is the SMILES notation for 8-pyridin-4-yl-1,7-dihydropurin-6-one?
The canonical SMILES for 8-pyridin-4-yl-1,7-dihydropurin-6-one is O=c1[nH]cnc2nc(-c3ccncc3)[nH]c12.
What is the InChIKey of 8-pyridin-4-yl-1,7-dihydropurin-6-one?
The InChIKey is FDULSKVMCDBNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c16-10-7-9(12-5-13-10)15-8(14-7)6-1-3-11-4-2-6/h1-5H,(H2,12,13,14,15,16).
What are the key properties of 8-pyridin-4-yl-1,7-dihydropurin-6-one?
8-pyridin-4-yl-1,7-dihydropurin-6-one has a molecular weight of 213.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-4-yl-1,7-dihydropurin-6-one is sourced from PubChem (CID 135672354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).