6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane

C17H23N3O2 — CID 142060059

IUPAC6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane
SMILESC=CCn1c(=O)cc(Nc2ccc(C)c(C)c2)[nH]c1=O.CC
InChIInChI=1S/C15H17N3O2.C2H6/c1-4-7-18-14(19)9-13(17-15(18)20)16-12-6-5-10(2)11(3)8-12;1-2/h4-6,8-9,16H,1,7H2,2-3H3,(H,17,20);1-2H3
InChIKeyKEHJWRHNBUEGKA-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.11
Rot. Bonds4

About 6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane

6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane (PubChem CID 142060059) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane.

Molecular Properties

Compound Name6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane
PubChem CID142060059
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane
SMILESC=CCn1c(=O)cc(Nc2ccc(C)c(C)c2)[nH]c1=O.CC
InChIInChI=1S/C15H17N3O2.C2H6/c1-4-7-18-14(19)9-13(17-15(18)20)16-12-6-5-10(2)11(3)8-12;1-2/h4-6,8-9,16H,1,7H2,2-3H3,(H,17,20);1-2H3
InChIKeyKEHJWRHNBUEGKA-UHFFFAOYSA-N
XLogP3.11
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane?
The IUPAC name of 6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane (CID 142060059) is 6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane.
What is the SMILES notation for 6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane?
The canonical SMILES for 6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane is C=CCn1c(=O)cc(Nc2ccc(C)c(C)c2)[nH]c1=O.CC.
What is the InChIKey of 6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane?
The InChIKey is KEHJWRHNBUEGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.C2H6/c1-4-7-18-14(19)9-13(17-15(18)20)16-12-6-5-10(2)11(3)8-12;1-2/h4-6,8-9,16H,1,7H2,2-3H3,(H,17,20);1-2H3.
What are the key properties of 6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane?
6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane has a molecular weight of 301.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane is sourced from PubChem (CID 142060059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).