5-hydroxypyrimidine-2-carbonitrile

C5H3N3O — CID 45080096

IUPAC5-hydroxypyrimidine-2-carbonitrile
SMILESN#Cc1ncc(O)cn1
InChIInChI=1S/C5H3N3O/c6-1-5-7-2-4(9)3-8-5/h2-3,9H
InChIKeyUFZDLOQYHSUCOS-UHFFFAOYSA-N
MW121.10 g/mol
LogP0.05
Rot. Bonds

About 5-hydroxypyrimidine-2-carbonitrile

5-hydroxypyrimidine-2-carbonitrile (PubChem CID 45080096) has the molecular formula C5H3N3O and a molecular weight of 121.10 g/mol. Its IUPAC name is 5-hydroxypyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-hydroxypyrimidine-2-carbonitrile
PubChem CID45080096
Molecular FormulaC5H3N3O
Molecular Weight121.10 g/mol
Exact Mass121.03
IUPAC Name5-hydroxypyrimidine-2-carbonitrile
SMILESN#Cc1ncc(O)cn1
InChIInChI=1S/C5H3N3O/c6-1-5-7-2-4(9)3-8-5/h2-3,9H
InChIKeyUFZDLOQYHSUCOS-UHFFFAOYSA-N
XLogP0.05
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypyrimidine-2-carbonitrile?
The IUPAC name of 5-hydroxypyrimidine-2-carbonitrile (CID 45080096) is 5-hydroxypyrimidine-2-carbonitrile.
What is the SMILES notation for 5-hydroxypyrimidine-2-carbonitrile?
The canonical SMILES for 5-hydroxypyrimidine-2-carbonitrile is N#Cc1ncc(O)cn1.
What is the InChIKey of 5-hydroxypyrimidine-2-carbonitrile?
The InChIKey is UFZDLOQYHSUCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O/c6-1-5-7-2-4(9)3-8-5/h2-3,9H.
What are the key properties of 5-hydroxypyrimidine-2-carbonitrile?
5-hydroxypyrimidine-2-carbonitrile has a molecular weight of 121.10 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypyrimidine-2-carbonitrile is sourced from PubChem (CID 45080096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).