2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one

C11H18N2O — CID 129060672

IUPAC2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one
SMILESC=C1NC(=O)C(C(C)C)=CN1C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)10-6-13(8(3)4)9(5)12-11(10)14/h6-8H,5H2,1-4H3,(H,12,14)
InChIKeyPVHZGCFXKSIOIK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.84
Rot. Bonds2

About 2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one

2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one (PubChem CID 129060672) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one
PubChem CID129060672
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one
SMILESC=C1NC(=O)C(C(C)C)=CN1C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)10-6-13(8(3)4)9(5)12-11(10)14/h6-8H,5H2,1-4H3,(H,12,14)
InChIKeyPVHZGCFXKSIOIK-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one?
The IUPAC name of 2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one (CID 129060672) is 2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one?
The canonical SMILES for 2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one is C=C1NC(=O)C(C(C)C)=CN1C(C)C.
What is the InChIKey of 2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one?
The InChIKey is PVHZGCFXKSIOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)10-6-13(8(3)4)9(5)12-11(10)14/h6-8H,5H2,1-4H3,(H,12,14).
What are the key properties of 2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one?
2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one has a molecular weight of 194.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 129060672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).