2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione

C15H15BrN4O4 — CID 19041928

IUPAC2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione
SMILESCOc1c2nc(CBr)n(C)c(=O)c2c(OC)c2ncn(C)c(=O)c12
InChIInChI=1S/C15H15BrN4O4/c1-19-6-17-10-8(14(19)21)13(24-4)11-9(12(10)23-3)15(22)20(2)7(5-16)18-11/h6H,5H2,1-4H3
InChIKeyJUSZWZJILYAIOV-UHFFFAOYSA-N
MW395.21 g/mol
LogP1.09
Rot. Bonds3

About 2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione

2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione (PubChem CID 19041928) has the molecular formula C15H15BrN4O4 and a molecular weight of 395.21 g/mol. Its IUPAC name is 2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione.

Molecular Properties

Compound Name2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione
PubChem CID19041928
Molecular FormulaC15H15BrN4O4
Molecular Weight395.21 g/mol
Exact Mass394.03
IUPAC Name2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione
SMILESCOc1c2nc(CBr)n(C)c(=O)c2c(OC)c2ncn(C)c(=O)c12
InChIInChI=1S/C15H15BrN4O4/c1-19-6-17-10-8(14(19)21)13(24-4)11-9(12(10)23-3)15(22)20(2)7(5-16)18-11/h6H,5H2,1-4H3
InChIKeyJUSZWZJILYAIOV-UHFFFAOYSA-N
XLogP1.09
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
The IUPAC name of 2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione (CID 19041928) is 2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione.
What is the SMILES notation for 2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
The canonical SMILES for 2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione is COc1c2nc(CBr)n(C)c(=O)c2c(OC)c2ncn(C)c(=O)c12.
What is the InChIKey of 2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
The InChIKey is JUSZWZJILYAIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O4/c1-19-6-17-10-8(14(19)21)13(24-4)11-9(12(10)23-3)15(22)20(2)7(5-16)18-11/h6H,5H2,1-4H3.
What are the key properties of 2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione has a molecular weight of 395.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5,10-dimethoxy-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione is sourced from PubChem (CID 19041928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).