pyrimidine-4-carbonitrile

C5H3N3 — CID 10313094

IUPACpyrimidine-4-carbonitrile
SMILESN#Cc1ccncn1
InChIInChI=1S/C5H3N3/c6-3-5-1-2-7-4-8-5/h1-2,4H
InChIKeyZIEWSZYVEDTXGH-UHFFFAOYSA-N
MW105.10 g/mol
LogP0.35
Rot. Bonds

About pyrimidine-4-carbonitrile

pyrimidine-4-carbonitrile (PubChem CID 10313094) has the molecular formula C5H3N3 and a molecular weight of 105.10 g/mol. Its IUPAC name is pyrimidine-4-carbonitrile.

Molecular Properties

Compound Namepyrimidine-4-carbonitrile
PubChem CID10313094
Molecular FormulaC5H3N3
Molecular Weight105.10 g/mol
Exact Mass105.03
IUPAC Namepyrimidine-4-carbonitrile
SMILESN#Cc1ccncn1
InChIInChI=1S/C5H3N3/c6-3-5-1-2-7-4-8-5/h1-2,4H
InChIKeyZIEWSZYVEDTXGH-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-4-carbonitrile?
The IUPAC name of pyrimidine-4-carbonitrile (CID 10313094) is pyrimidine-4-carbonitrile.
What is the SMILES notation for pyrimidine-4-carbonitrile?
The canonical SMILES for pyrimidine-4-carbonitrile is N#Cc1ccncn1.
What is the InChIKey of pyrimidine-4-carbonitrile?
The InChIKey is ZIEWSZYVEDTXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3/c6-3-5-1-2-7-4-8-5/h1-2,4H.
What are the key properties of pyrimidine-4-carbonitrile?
pyrimidine-4-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-4-carbonitrile is sourced from PubChem (CID 10313094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).