6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione

C16H19N3O2 — CID 10660798

IUPAC6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCn1c(=O)cc(Nc2ccc(C)c(CC)c2)[nH]c1=O
InChIInChI=1S/C16H19N3O2/c1-4-8-19-15(20)10-14(18-16(19)21)17-13-7-6-11(3)12(5-2)9-13/h4,6-7,9-10,17H,1,5,8H2,2-3H3,(H,18,21)
InChIKeyIDCMJDXDFKKPPL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.34
Rot. Bonds5

About 6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione

6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione (PubChem CID 10660798) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione
PubChem CID10660798
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCn1c(=O)cc(Nc2ccc(C)c(CC)c2)[nH]c1=O
InChIInChI=1S/C16H19N3O2/c1-4-8-19-15(20)10-14(18-16(19)21)17-13-7-6-11(3)12(5-2)9-13/h4,6-7,9-10,17H,1,5,8H2,2-3H3,(H,18,21)
InChIKeyIDCMJDXDFKKPPL-UHFFFAOYSA-N
XLogP2.34
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.34
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-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione (CID 10660798) is 6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione is C=CCn1c(=O)cc(Nc2ccc(C)c(CC)c2)[nH]c1=O.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
The InChIKey is IDCMJDXDFKKPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-8-19-15(20)10-14(18-16(19)21)17-13-7-6-11(3)12(5-2)9-13/h4,6-7,9-10,17H,1,5,8H2,2-3H3,(H,18,21).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione has a molecular weight of 285.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10660798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).