4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C13H19N3O — CID 135473139

IUPAC4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESC=C(C)Cc1c(C)nc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C13H19N3O/c1-9(2)8-11-10(3)14-13(15-12(11)17)16-6-4-5-7-16/h1,4-8H2,2-3H3,(H,14,15,17)
InChIKeyPAFLPGTZKCAHHW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.80
Rot. Bonds3

About 4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135473139) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID135473139
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESC=C(C)Cc1c(C)nc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C13H19N3O/c1-9(2)8-11-10(3)14-13(15-12(11)17)16-6-4-5-7-16/h1,4-8H2,2-3H3,(H,14,15,17)
InChIKeyPAFLPGTZKCAHHW-UHFFFAOYSA-N
XLogP1.80
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 135473139) is 4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is C=C(C)Cc1c(C)nc(N2CCCC2)[nH]c1=O.
What is the InChIKey of 4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is PAFLPGTZKCAHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)8-11-10(3)14-13(15-12(11)17)16-6-4-5-7-16/h1,4-8H2,2-3H3,(H,14,15,17).
What are the key properties of 4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 233.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135473139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).