pyrimidine-2-carbonitrile

C5H3N3 — CID 2757979

IUPACpyrimidine-2-carbonitrile
SMILESN#Cc1ncccn1
InChIInChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H
InChIKeyIIHQNAXFIODVDU-UHFFFAOYSA-N
MW105.10 g/mol
LogP0.35
Rot. Bonds

About pyrimidine-2-carbonitrile

pyrimidine-2-carbonitrile (PubChem CID 2757979) has the molecular formula C5H3N3 and a molecular weight of 105.10 g/mol. Its IUPAC name is pyrimidine-2-carbonitrile.

Molecular Properties

Compound Namepyrimidine-2-carbonitrile
PubChem CID2757979
Molecular FormulaC5H3N3
Molecular Weight105.10 g/mol
Exact Mass105.03
IUPAC Namepyrimidine-2-carbonitrile
SMILESN#Cc1ncccn1
InChIInChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H
InChIKeyIIHQNAXFIODVDU-UHFFFAOYSA-N
XLogP0.35
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.10
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidine-2-carbonitrile?
The IUPAC name of pyrimidine-2-carbonitrile (CID 2757979) is pyrimidine-2-carbonitrile.
What is the SMILES notation for pyrimidine-2-carbonitrile?
The canonical SMILES for pyrimidine-2-carbonitrile is N#Cc1ncccn1.
What is the InChIKey of pyrimidine-2-carbonitrile?
The InChIKey is IIHQNAXFIODVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H.
What are the key properties of pyrimidine-2-carbonitrile?
pyrimidine-2-carbonitrile has a molecular weight of 105.10 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-2-carbonitrile is sourced from PubChem (CID 2757979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).