5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione

C18H22N4O6 — CID 10249791

IUPAC5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione
SMILESCOCc1nc2c(OC)c3c(=O)n(C)c(COC)nc3c(OC)c2c(=O)n1C
InChIInChI=1S/C18H22N4O6/c1-21-9(7-25-3)19-13-11(17(21)23)15(27-5)14-12(16(13)28-6)18(24)22(2)10(20-14)8-26-4/h7-8H2,1-6H3
InChIKeyVDTGBENZKXRGPG-UHFFFAOYSA-N
MW390.40 g/mol
LogP0.49
Rot. Bonds6

About 5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione

5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione (PubChem CID 10249791) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is 5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione.

Molecular Properties

Compound Name5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione
PubChem CID10249791
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Name5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione
SMILESCOCc1nc2c(OC)c3c(=O)n(C)c(COC)nc3c(OC)c2c(=O)n1C
InChIInChI=1S/C18H22N4O6/c1-21-9(7-25-3)19-13-11(17(21)23)15(27-5)14-12(16(13)28-6)18(24)22(2)10(20-14)8-26-4/h7-8H2,1-6H3
InChIKeyVDTGBENZKXRGPG-UHFFFAOYSA-N
XLogP0.49
TPSA106.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
The IUPAC name of 5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione (CID 10249791) is 5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione.
What is the SMILES notation for 5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
The canonical SMILES for 5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione is COCc1nc2c(OC)c3c(=O)n(C)c(COC)nc3c(OC)c2c(=O)n1C.
What is the InChIKey of 5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
The InChIKey is VDTGBENZKXRGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c1-21-9(7-25-3)19-13-11(17(21)23)15(27-5)14-12(16(13)28-6)18(24)22(2)10(20-14)8-26-4/h7-8H2,1-6H3.
What are the key properties of 5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione has a molecular weight of 390.40 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethoxy-2,7-bis(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione is sourced from PubChem (CID 10249791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).