4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one

C11H16N2O — CID 137277384

IUPAC4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one
SMILESC=CCc1c(C)nc(CCC)[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-4-6-9-8(3)12-10(7-5-2)13-11(9)14/h4H,1,5-7H2,2-3H3,(H,12,13,14)
InChIKeyXDFGUNQMYXNTND-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.76
Rot. Bonds4

About 4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one

4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one (PubChem CID 137277384) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one
PubChem CID137277384
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one
SMILESC=CCc1c(C)nc(CCC)[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-4-6-9-8(3)12-10(7-5-2)13-11(9)14/h4H,1,5-7H2,2-3H3,(H,12,13,14)
InChIKeyXDFGUNQMYXNTND-UHFFFAOYSA-N
XLogP1.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one (CID 137277384) is 4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one is C=CCc1c(C)nc(CCC)[nH]c1=O.
What is the InChIKey of 4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one?
The InChIKey is XDFGUNQMYXNTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-6-9-8(3)12-10(7-5-2)13-11(9)14/h4H,1,5-7H2,2-3H3,(H,12,13,14).
What are the key properties of 4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one?
4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one has a molecular weight of 192.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137277384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).