5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione

C23H22N2O4 — CID 142750900

IUPAC5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2ccc(C3CO3)cc2)c(=O)n(Cc2ccc(C3CO3)cc2)c1=O
InChIInChI=1S/C23H22N2O4/c1-15-10-24(11-16-2-6-18(7-3-16)20-13-28-20)23(27)25(22(15)26)12-17-4-8-19(9-5-17)21-14-29-21/h2-10,20-21H,11-14H2,1H3
InChIKeyXDFWKXCKWQIUOE-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.56
Rot. Bonds6

About 5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione

5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 142750900) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID142750900
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCc1cn(Cc2ccc(C3CO3)cc2)c(=O)n(Cc2ccc(C3CO3)cc2)c1=O
InChIInChI=1S/C23H22N2O4/c1-15-10-24(11-16-2-6-18(7-3-16)20-13-28-20)23(27)25(22(15)26)12-17-4-8-19(9-5-17)21-14-29-21/h2-10,20-21H,11-14H2,1H3
InChIKeyXDFWKXCKWQIUOE-UHFFFAOYSA-N
XLogP2.56
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]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 5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione (CID 142750900) is 5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione is Cc1cn(Cc2ccc(C3CO3)cc2)c(=O)n(Cc2ccc(C3CO3)cc2)c1=O.
What is the InChIKey of 5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is XDFWKXCKWQIUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-10-24(11-16-2-6-18(7-3-16)20-13-28-20)23(27)25(22(15)26)12-17-4-8-19(9-5-17)21-14-29-21/h2-10,20-21H,11-14H2,1H3.
What are the key properties of 5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione?
5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 390.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-bis[[4-(oxiran-2-yl)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 142750900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).