5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride

C9H8ClN3O2 — CID 155294297

IUPAC5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.O=c1[nH]cc(-c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C9H7N3O2.ClH/c13-8-7(5-11-9(14)12-8)6-2-1-3-10-4-6;/h1-5H,(H2,11,12,13,14);1H
InChIKeyPAAMCDNYSXQCJJ-UHFFFAOYSA-N
MW225.64 g/mol
LogP0.55
Rot. Bonds1

About 5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride

5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 155294297) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID155294297
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.O=c1[nH]cc(-c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C9H7N3O2.ClH/c13-8-7(5-11-9(14)12-8)6-2-1-3-10-4-6;/h1-5H,(H2,11,12,13,14);1H
InChIKeyPAAMCDNYSXQCJJ-UHFFFAOYSA-N
XLogP0.55
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride (CID 155294297) is 5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride is Cl.O=c1[nH]cc(-c2cccnc2)c(=O)[nH]1.
What is the InChIKey of 5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is PAAMCDNYSXQCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2.ClH/c13-8-7(5-11-9(14)12-8)6-2-1-3-10-4-6;/h1-5H,(H2,11,12,13,14);1H.
What are the key properties of 5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride?
5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 225.64 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 155294297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).