2,5-dimethylidene-1,6-dihydropyrimidine

C6H8N2 — CID 89061437

IUPAC2,5-dimethylidene-1,6-dihydropyrimidine
SMILESC=C1C=NC(=C)NC1
InChIInChI=1S/C6H8N2/c1-5-3-7-6(2)8-4-5/h3,8H,1-2,4H2
InChIKeyJGLGYFPQNFFYAU-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.69
Rot. Bonds

About 2,5-dimethylidene-1,6-dihydropyrimidine

2,5-dimethylidene-1,6-dihydropyrimidine (PubChem CID 89061437) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2,5-dimethylidene-1,6-dihydropyrimidine.

Molecular Properties

Compound Name2,5-dimethylidene-1,6-dihydropyrimidine
PubChem CID89061437
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2,5-dimethylidene-1,6-dihydropyrimidine
SMILESC=C1C=NC(=C)NC1
InChIInChI=1S/C6H8N2/c1-5-3-7-6(2)8-4-5/h3,8H,1-2,4H2
InChIKeyJGLGYFPQNFFYAU-UHFFFAOYSA-N
XLogP0.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylidene-1,6-dihydropyrimidine?
The IUPAC name of 2,5-dimethylidene-1,6-dihydropyrimidine (CID 89061437) is 2,5-dimethylidene-1,6-dihydropyrimidine.
What is the SMILES notation for 2,5-dimethylidene-1,6-dihydropyrimidine?
The canonical SMILES for 2,5-dimethylidene-1,6-dihydropyrimidine is C=C1C=NC(=C)NC1.
What is the InChIKey of 2,5-dimethylidene-1,6-dihydropyrimidine?
The InChIKey is JGLGYFPQNFFYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-5-3-7-6(2)8-4-5/h3,8H,1-2,4H2.
What are the key properties of 2,5-dimethylidene-1,6-dihydropyrimidine?
2,5-dimethylidene-1,6-dihydropyrimidine has a molecular weight of 108.14 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylidene-1,6-dihydropyrimidine is sourced from PubChem (CID 89061437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).