2-cyclohexa-1,5-dien-1-ylpyrimidine

C10H10N2 — CID 19608834

IUPAC2-cyclohexa-1,5-dien-1-ylpyrimidine
SMILESC1=CC(c2ncccn2)=CCC1
InChIInChI=1S/C10H10N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h2,4-8H,1,3H2
InChIKeyAXHLOIUFOOSHAZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.21
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-ylpyrimidine

2-cyclohexa-1,5-dien-1-ylpyrimidine (PubChem CID 19608834) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-ylpyrimidine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-ylpyrimidine
PubChem CID19608834
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2-cyclohexa-1,5-dien-1-ylpyrimidine
SMILESC1=CC(c2ncccn2)=CCC1
InChIInChI=1S/C10H10N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h2,4-8H,1,3H2
InChIKeyAXHLOIUFOOSHAZ-UHFFFAOYSA-N
XLogP2.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexa-1,5-dien-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-ylpyrimidine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-ylpyrimidine (CID 19608834) is 2-cyclohexa-1,5-dien-1-ylpyrimidine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-ylpyrimidine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-ylpyrimidine is C1=CC(c2ncccn2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-ylpyrimidine?
The InChIKey is AXHLOIUFOOSHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h2,4-8H,1,3H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-ylpyrimidine?
2-cyclohexa-1,5-dien-1-ylpyrimidine has a molecular weight of 158.20 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-ylpyrimidine is sourced from PubChem (CID 19608834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).