6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione

C26H33N5O4 — CID 11027239

IUPAC6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCCN3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]2)ccc1C
InChIInChI=1S/C26H33N5O4/c1-3-20-17-21(9-8-19(20)2)27-23-18-24(32)31(26(34)28-23)11-5-4-10-29-12-14-30(15-13-29)25(33)22-7-6-16-35-22/h6-9,16-18,27H,3-5,10-15H2,1-2H3,(H,28,34)
InChIKeyIYDJOUXWAAVCBT-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.98
Rot. Bonds9

About 6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione

6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione (PubChem CID 11027239) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione
PubChem CID11027239
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CCCCN3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]2)ccc1C
InChIInChI=1S/C26H33N5O4/c1-3-20-17-21(9-8-19(20)2)27-23-18-24(32)31(26(34)28-23)11-5-4-10-29-12-14-30(15-13-29)25(33)22-7-6-16-35-22/h6-9,16-18,27H,3-5,10-15H2,1-2H3,(H,28,34)
InChIKeyIYDJOUXWAAVCBT-UHFFFAOYSA-N
XLogP2.98
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-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-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione (CID 11027239) is 6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione is CCc1cc(Nc2cc(=O)n(CCCCN3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione?
The InChIKey is IYDJOUXWAAVCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-3-20-17-21(9-8-19(20)2)27-23-18-24(32)31(26(34)28-23)11-5-4-10-29-12-14-30(15-13-29)25(33)22-7-6-16-35-22/h6-9,16-18,27H,3-5,10-15H2,1-2H3,(H,28,34).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione has a molecular weight of 479.58 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-[4-[4-(furan-2-carbonyl)piperazin-1-yl]butyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11027239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).