5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C16H17N3O3 — CID 2263641

IUPAC5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc3c(c2)CCC3)c(=O)n(C)c1=O
InChIInChI=1S/C16H17N3O3/c1-18-14(20)13(15(21)19(2)16(18)22)9-17-12-7-6-10-4-3-5-11(10)8-12/h6-9,20H,3-5H2,1-2H3/b17-9+
InChIKeyWBMYMHQATSCOMY-RQZCQDPDSA-N
MW299.33 g/mol
LogP1.03
Rot. Bonds2

About 5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2263641) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2263641
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc3c(c2)CCC3)c(=O)n(C)c1=O
InChIInChI=1S/C16H17N3O3/c1-18-14(20)13(15(21)19(2)16(18)22)9-17-12-7-6-10-4-3-5-11(10)8-12/h6-9,20H,3-5H2,1-2H3/b17-9+
InChIKeyWBMYMHQATSCOMY-RQZCQDPDSA-N
XLogP1.03
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-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 5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 2263641) is 5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2ccc3c(c2)CCC3)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WBMYMHQATSCOMY-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-18-14(20)13(15(21)19(2)16(18)22)9-17-12-7-6-10-4-3-5-11(10)8-12/h6-9,20H,3-5H2,1-2H3/b17-9+.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 299.33 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2263641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).