pyrimidine-5-carbonitrile

C5H3N3 — CID 10197646

IUPACpyrimidine-5-carbonitrile
SMILESN#Cc1cncnc1
InChIInChI=1S/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H
InChIKeyXVIAPHVAGFEFFN-UHFFFAOYSA-N
MW105.10 g/mol
LogP0.35
Rot. Bonds

About pyrimidine-5-carbonitrile

pyrimidine-5-carbonitrile (PubChem CID 10197646) has the molecular formula C5H3N3 and a molecular weight of 105.10 g/mol. Its IUPAC name is pyrimidine-5-carbonitrile.

Molecular Properties

Compound Namepyrimidine-5-carbonitrile
PubChem CID10197646
Molecular FormulaC5H3N3
Molecular Weight105.10 g/mol
Exact Mass105.03
IUPAC Namepyrimidine-5-carbonitrile
SMILESN#Cc1cncnc1
InChIInChI=1S/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H
InChIKeyXVIAPHVAGFEFFN-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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Related Compounds

5-Bromopyrimidine
CID 78344
4-Amino-2-methylpyrimidine-5-carbonitrile
CID 69682
4-Amino-5-pyrimidinecarbonitrile
CID 737208
Hydrazinopyrimidine-5-carbonitrile
CID 1478409
5-Fluoropyrimidine
CID 69605
2-Chloro-5-(trifluoromethyl)pyrimidine
CID 13317019
2,4-Diaminopyrimidine-5-carbonitrile
CID 282115
5-Chloropyrimidine
CID 12600384
Pyrimidine, 2,4-dichloro-5-methyl-
CID 74508
5-Methylpyrimidine
CID 74859
4-Amino-2-(diethylamino)-5-pyrimidinecarbonitrile
CID 2816412
5-Iodopyrimidine
CID 1201421

Frequently Asked Questions

What is the IUPAC name of pyrimidine-5-carbonitrile?
The IUPAC name of pyrimidine-5-carbonitrile (CID 10197646) is pyrimidine-5-carbonitrile.
What is the SMILES notation for pyrimidine-5-carbonitrile?
The canonical SMILES for pyrimidine-5-carbonitrile is N#Cc1cncnc1.
What is the InChIKey of pyrimidine-5-carbonitrile?
The InChIKey is XVIAPHVAGFEFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H.
What are the key properties of pyrimidine-5-carbonitrile?
pyrimidine-5-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-5-carbonitrile is sourced from PubChem (CID 10197646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).