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

C18H25N3O3 — CID 10088093

IUPAC6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCCOC)c(=O)[nH]2)ccc1C
InChIInChI=1S/C18H25N3O3/c1-4-14-11-15(8-7-13(14)2)19-16-12-17(22)21(18(23)20-16)9-5-6-10-24-3/h7-8,11-12,19H,4-6,9-10H2,1-3H3,(H,20,23)
InChIKeyJCIBXIZNDNUOLS-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.58
Rot. Bonds8

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

6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione (PubChem CID 10088093) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione
PubChem CID10088093
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCCOC)c(=O)[nH]2)ccc1C
InChIInChI=1S/C18H25N3O3/c1-4-14-11-15(8-7-13(14)2)19-16-12-17(22)21(18(23)20-16)9-5-6-10-24-3/h7-8,11-12,19H,4-6,9-10H2,1-3H3,(H,20,23)
InChIKeyJCIBXIZNDNUOLS-UHFFFAOYSA-N
XLogP2.58
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione (CID 10088093) is 6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione is CCc1cc(Nc2cc(=O)n(CCCCOC)c(=O)[nH]2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione?
The InChIKey is JCIBXIZNDNUOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-14-11-15(8-7-13(14)2)19-16-12-17(22)21(18(23)20-16)9-5-6-10-24-3/h7-8,11-12,19H,4-6,9-10H2,1-3H3,(H,20,23).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione has a molecular weight of 331.42 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10088093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).