pyrimidine

C8H8N4 — CID 22057568

IUPACpyrimidine
SMILESc1cncnc1.c1cncnc1
InChIInChI=1S/2C4H4N2/c2*1-2-5-4-6-3-1/h2*1-4H
InChIKeyYMXFJTUQQVLJEN-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.95
Rot. Bonds

About pyrimidine

pyrimidine (PubChem CID 22057568) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is pyrimidine.

Molecular Properties

Compound Namepyrimidine
PubChem CID22057568
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Namepyrimidine
SMILESc1cncnc1.c1cncnc1
InChIInChI=1S/2C4H4N2/c2*1-2-5-4-6-3-1/h2*1-4H
InChIKeyYMXFJTUQQVLJEN-UHFFFAOYSA-N
XLogP0.95
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimidine?
The IUPAC name of pyrimidine (CID 22057568) is pyrimidine.
What is the SMILES notation for pyrimidine?
The canonical SMILES for pyrimidine is c1cncnc1.c1cncnc1.
What is the InChIKey of pyrimidine?
The InChIKey is YMXFJTUQQVLJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4N2/c2*1-2-5-4-6-3-1/h2*1-4H.
What are the key properties of pyrimidine?
pyrimidine has a molecular weight of 160.18 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine is sourced from PubChem (CID 22057568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).