5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine

C7H12N2 — CID 130350099

IUPAC5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine
SMILESC=CC1CN=C(C)NC1
InChIInChI=1S/C7H12N2/c1-3-7-4-8-6(2)9-5-7/h3,7H,1,4-5H2,2H3,(H,8,9)
InChIKeyMDGMLCFNZRVGJV-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.81
Rot. Bonds1

About 5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine

5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine (PubChem CID 130350099) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine
PubChem CID130350099
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine
SMILESC=CC1CN=C(C)NC1
InChIInChI=1S/C7H12N2/c1-3-7-4-8-6(2)9-5-7/h3,7H,1,4-5H2,2H3,(H,8,9)
InChIKeyMDGMLCFNZRVGJV-UHFFFAOYSA-N
XLogP0.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine (CID 130350099) is 5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine is C=CC1CN=C(C)NC1.
What is the InChIKey of 5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is MDGMLCFNZRVGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7-4-8-6(2)9-5-7/h3,7H,1,4-5H2,2H3,(H,8,9).
What are the key properties of 5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine?
5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 124.19 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 130350099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).