5-methyl-6-methylidene-1H-pyrimidine

C6H8N2 — CID 45080169

IUPAC5-methyl-6-methylidene-1H-pyrimidine
SMILESC=C1NC=NC=C1C
InChIInChI=1S/C6H8N2/c1-5-3-7-4-8-6(5)2/h3-4H,2H2,1H3,(H,7,8)
InChIKeyBBHZILULZFFYLK-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.04
Rot. Bonds

About 5-methyl-6-methylidene-1H-pyrimidine

5-methyl-6-methylidene-1H-pyrimidine (PubChem CID 45080169) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 5-methyl-6-methylidene-1H-pyrimidine.

Molecular Properties

Compound Name5-methyl-6-methylidene-1H-pyrimidine
PubChem CID45080169
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name5-methyl-6-methylidene-1H-pyrimidine
SMILESC=C1NC=NC=C1C
InChIInChI=1S/C6H8N2/c1-5-3-7-4-8-6(5)2/h3-4H,2H2,1H3,(H,7,8)
InChIKeyBBHZILULZFFYLK-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-methylidene-1H-pyrimidine?
The IUPAC name of 5-methyl-6-methylidene-1H-pyrimidine (CID 45080169) is 5-methyl-6-methylidene-1H-pyrimidine.
What is the SMILES notation for 5-methyl-6-methylidene-1H-pyrimidine?
The canonical SMILES for 5-methyl-6-methylidene-1H-pyrimidine is C=C1NC=NC=C1C.
What is the InChIKey of 5-methyl-6-methylidene-1H-pyrimidine?
The InChIKey is BBHZILULZFFYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-5-3-7-4-8-6(5)2/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of 5-methyl-6-methylidene-1H-pyrimidine?
5-methyl-6-methylidene-1H-pyrimidine has a molecular weight of 108.14 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-methylidene-1H-pyrimidine is sourced from PubChem (CID 45080169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).