1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione

C20H24N4O3 — CID 3555672

IUPAC1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione
SMILESCCCCn1c(O)c(/C(C)=N/CCc2c[nH]c3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C20H24N4O3/c1-3-4-11-24-19(26)17(18(25)23-20(24)27)13(2)21-10-9-14-12-22-16-8-6-5-7-15(14)16/h5-8,12,22,26H,3-4,9-11H2,1-2H3,(H,23,25,27)/b21-13+
InChIKeySAKPSFUGISSSDG-FYJGNVAPSA-N
MW368.44 g/mol
LogP2.58
Rot. Bonds7

About 1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione

1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione (PubChem CID 3555672) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione
PubChem CID3555672
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione
SMILESCCCCn1c(O)c(/C(C)=N/CCc2c[nH]c3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C20H24N4O3/c1-3-4-11-24-19(26)17(18(25)23-20(24)27)13(2)21-10-9-14-12-22-16-8-6-5-7-15(14)16/h5-8,12,22,26H,3-4,9-11H2,1-2H3,(H,23,25,27)/b21-13+
InChIKeySAKPSFUGISSSDG-FYJGNVAPSA-N
XLogP2.58
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]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 1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione?
The IUPAC name of 1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione (CID 3555672) is 1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione is CCCCn1c(O)c(/C(C)=N/CCc2c[nH]c3ccccc23)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione?
The InChIKey is SAKPSFUGISSSDG-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-4-11-24-19(26)17(18(25)23-20(24)27)13(2)21-10-9-14-12-22-16-8-6-5-7-15(14)16/h5-8,12,22,26H,3-4,9-11H2,1-2H3,(H,23,25,27)/b21-13+.
What are the key properties of 1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione?
1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione has a molecular weight of 368.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-hydroxy-5-[N-[2-(1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3555672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).