5-ethylidene-4-methylidene-1H-pyrimidin-6-one

C7H8N2O — CID 137097267

IUPAC5-ethylidene-4-methylidene-1H-pyrimidin-6-one
SMILESC=c1nc[nH]c(=O)c1=CC
InChIInChI=1S/C7H8N2O/c1-3-6-5(2)8-4-9-7(6)10/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeyLPDJYFOAMWKAQQ-UHFFFAOYSA-N
MW136.15 g/mol
LogP-1.02
Rot. Bonds

About 5-ethylidene-4-methylidene-1H-pyrimidin-6-one

5-ethylidene-4-methylidene-1H-pyrimidin-6-one (PubChem CID 137097267) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 5-ethylidene-4-methylidene-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethylidene-4-methylidene-1H-pyrimidin-6-one
PubChem CID137097267
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name5-ethylidene-4-methylidene-1H-pyrimidin-6-one
SMILESC=c1nc[nH]c(=O)c1=CC
InChIInChI=1S/C7H8N2O/c1-3-6-5(2)8-4-9-7(6)10/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeyLPDJYFOAMWKAQQ-UHFFFAOYSA-N
XLogP-1.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-4-methylidene-1H-pyrimidin-6-one?
The IUPAC name of 5-ethylidene-4-methylidene-1H-pyrimidin-6-one (CID 137097267) is 5-ethylidene-4-methylidene-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethylidene-4-methylidene-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethylidene-4-methylidene-1H-pyrimidin-6-one is C=c1nc[nH]c(=O)c1=CC.
What is the InChIKey of 5-ethylidene-4-methylidene-1H-pyrimidin-6-one?
The InChIKey is LPDJYFOAMWKAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-3-6-5(2)8-4-9-7(6)10/h3-4H,2H2,1H3,(H,8,9,10).
What are the key properties of 5-ethylidene-4-methylidene-1H-pyrimidin-6-one?
5-ethylidene-4-methylidene-1H-pyrimidin-6-one has a molecular weight of 136.15 g/mol, XLogP of -1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-4-methylidene-1H-pyrimidin-6-one is sourced from PubChem (CID 137097267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).