5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one

C10H16N2O — CID 121431722

IUPAC5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one
SMILESC=C1NC(=O)C(C)=C(C)N1C(C)C
InChIInChI=1S/C10H16N2O/c1-6(2)12-8(4)7(3)10(13)11-9(12)5/h6H,5H2,1-4H3,(H,11,13)
InChIKeyGWUIDGXWRWHPFK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.59
Rot. Bonds1

About 5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one

5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one (PubChem CID 121431722) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one
PubChem CID121431722
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one
SMILESC=C1NC(=O)C(C)=C(C)N1C(C)C
InChIInChI=1S/C10H16N2O/c1-6(2)12-8(4)7(3)10(13)11-9(12)5/h6H,5H2,1-4H3,(H,11,13)
InChIKeyGWUIDGXWRWHPFK-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one (CID 121431722) is 5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one is C=C1NC(=O)C(C)=C(C)N1C(C)C.
What is the InChIKey of 5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one?
The InChIKey is GWUIDGXWRWHPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)12-8(4)7(3)10(13)11-9(12)5/h6H,5H2,1-4H3,(H,11,13).
What are the key properties of 5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one?
5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 121431722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).