6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile

C7H7N3O — CID 142322554

IUPAC6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile
SMILESC=C1NC(=O)C(C#N)=C(C)N1
InChIInChI=1S/C7H7N3O/c1-4-6(3-8)7(11)10-5(2)9-4/h9H,2H2,1H3,(H,10,11)
InChIKeyZRWYYLVQOVNYRY-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.03
Rot. Bonds

About 6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile

6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 142322554) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID142322554
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile
SMILESC=C1NC(=O)C(C#N)=C(C)N1
InChIInChI=1S/C7H7N3O/c1-4-6(3-8)7(11)10-5(2)9-4/h9H,2H2,1H3,(H,10,11)
InChIKeyZRWYYLVQOVNYRY-UHFFFAOYSA-N
XLogP-0.03
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile (CID 142322554) is 6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile is C=C1NC(=O)C(C#N)=C(C)N1.
What is the InChIKey of 6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is ZRWYYLVQOVNYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-4-6(3-8)7(11)10-5(2)9-4/h9H,2H2,1H3,(H,10,11).
What are the key properties of 6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile?
6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 149.15 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylidene-4-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 142322554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).