pyrimidine

C4H4N2 — CID 9260

IUPACpyrimidine
SMILESc1cncnc1
InChIInChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
InChIKeyCZPWVGJYEJSRLH-UHFFFAOYSA-N
MW80.09 g/mol
LogP0.48
Rot. Bonds

About pyrimidine

pyrimidine (PubChem CID 9260) has the molecular formula C4H4N2 and a molecular weight of 80.09 g/mol. Its IUPAC name is pyrimidine.

Molecular Properties

Compound Namepyrimidine
PubChem CID9260
Molecular FormulaC4H4N2
Molecular Weight80.09 g/mol
Exact Mass80.04
IUPAC Namepyrimidine
SMILESc1cncnc1
InChIInChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
InChIKeyCZPWVGJYEJSRLH-UHFFFAOYSA-N
XLogP0.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.09
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrimidine?
The IUPAC name of pyrimidine (CID 9260) is pyrimidine.
What is the SMILES notation for pyrimidine?
The canonical SMILES for pyrimidine is c1cncnc1.
What is the InChIKey of pyrimidine?
The InChIKey is CZPWVGJYEJSRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H.
What are the key properties of pyrimidine?
pyrimidine has a molecular weight of 80.09 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine is sourced from PubChem (CID 9260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).