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

C10H7N5O — CID 135453826

IUPAC2-pyridin-4-yl-1,7-dihydropurin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc2nc[nH]c12
InChIInChI=1S/C10H7N5O/c16-10-7-9(13-5-12-7)14-8(15-10)6-1-3-11-4-2-6/h1-5H,(H2,12,13,14,15,16)
InChIKeyVDWLVBALZODFEP-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.71
Rot. Bonds1

About 2-pyridin-4-yl-1,7-dihydropurin-6-one

2-pyridin-4-yl-1,7-dihydropurin-6-one (PubChem CID 135453826) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-pyridin-4-yl-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-pyridin-4-yl-1,7-dihydropurin-6-one
PubChem CID135453826
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name2-pyridin-4-yl-1,7-dihydropurin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc2nc[nH]c12
InChIInChI=1S/C10H7N5O/c16-10-7-9(13-5-12-7)14-8(15-10)6-1-3-11-4-2-6/h1-5H,(H2,12,13,14,15,16)
InChIKeyVDWLVBALZODFEP-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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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1,7-dihydropurin-6-one?
The IUPAC name of 2-pyridin-4-yl-1,7-dihydropurin-6-one (CID 135453826) is 2-pyridin-4-yl-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-pyridin-4-yl-1,7-dihydropurin-6-one?
The canonical SMILES for 2-pyridin-4-yl-1,7-dihydropurin-6-one is O=c1[nH]c(-c2ccncc2)nc2nc[nH]c12.
What is the InChIKey of 2-pyridin-4-yl-1,7-dihydropurin-6-one?
The InChIKey is VDWLVBALZODFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c16-10-7-9(13-5-12-7)14-8(15-10)6-1-3-11-4-2-6/h1-5H,(H2,12,13,14,15,16).
What are the key properties of 2-pyridin-4-yl-1,7-dihydropurin-6-one?
2-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 2-pyridin-4-yl-1,7-dihydropurin-6-one is sourced from PubChem (CID 135453826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).