4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one

C12H19N3O — CID 135457119

IUPAC4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1c(N(CC)CC)nc(C)[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-5-8-10-11(15(6-2)7-3)13-9(4)14-12(10)16/h5H,1,6-8H2,2-4H3,(H,13,14,16)
InChIKeyOIVUUBFOWISWPT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.65
Rot. Bonds5

About 4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one

4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one (PubChem CID 135457119) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
PubChem CID135457119
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1c(N(CC)CC)nc(C)[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-5-8-10-11(15(6-2)7-3)13-9(4)14-12(10)16/h5H,1,6-8H2,2-4H3,(H,13,14,16)
InChIKeyOIVUUBFOWISWPT-UHFFFAOYSA-N
XLogP1.65
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.65
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-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one (CID 135457119) is 4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one is C=CCc1c(N(CC)CC)nc(C)[nH]c1=O.
What is the InChIKey of 4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The InChIKey is OIVUUBFOWISWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-8-10-11(15(6-2)7-3)13-9(4)14-12(10)16/h5H,1,6-8H2,2-4H3,(H,13,14,16).
What are the key properties of 4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-methyl-5-prop-2-enyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135457119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).