8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione

C21H18N2O4 — CID 2040325

IUPAC8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc2c(=O)c3c(=O)n(CCc4ccccc4)c(C)nc3oc2c1
InChIInChI=1S/C21H18N2O4/c1-13-22-20-18(19(24)16-9-8-15(26-2)12-17(16)27-20)21(25)23(13)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyZMHARAMFPJJACT-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.06
Rot. Bonds4

About 8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione

8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 2040325) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID2040325
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCOc1ccc2c(=O)c3c(=O)n(CCc4ccccc4)c(C)nc3oc2c1
InChIInChI=1S/C21H18N2O4/c1-13-22-20-18(19(24)16-9-8-15(26-2)12-17(16)27-20)21(25)23(13)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyZMHARAMFPJJACT-UHFFFAOYSA-N
XLogP3.06
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-3-[2-(4-methoxyphenyl)ethyl]chromeno[2,3-d]pyrimidine-4,5-dione
CID 666565
2-(4-chlorophenyl)-8-methoxy-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione
CID 2039177
2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 666242
8-methoxy-2-phenyl-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 4887833
8-methoxy-2-(4-methylphenyl)-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 4887296
2-(4-fluorophenyl)-8-methoxy-3-(1-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 4886085
7-bromo-2-(2-methylphenyl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 22695834
7-bromo-3-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 22695851
2-cyclohexyl-3-(furan-2-ylmethyl)-8-methoxychromeno[2,3-d]pyrimidine-4,5-dione
CID 666434
4-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 90979962
7-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 22695839
7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one
CID 11151459

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione (CID 2040325) is 8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione is COc1ccc2c(=O)c3c(=O)n(CCc4ccccc4)c(C)nc3oc2c1.
What is the InChIKey of 8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is ZMHARAMFPJJACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-13-22-20-18(19(24)16-9-8-15(26-2)12-17(16)27-20)21(25)23(13)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 362.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 2040325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).