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

C16H18N4O5 — CID 19041926

IUPAC5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione
SMILESCOCc1nc2c(OC)c3c(=O)n(C)cnc3c(OC)c2c(=O)n1C
InChIInChI=1S/C16H18N4O5/c1-19-7-17-11-9(15(19)21)14(25-5)12-10(13(11)24-4)16(22)20(2)8(18-12)6-23-3/h7H,6H2,1-5H3
InChIKeyOGVMTNOVWYKGNH-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.34
Rot. Bonds4

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

5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione (PubChem CID 19041926) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione.

Molecular Properties

Compound Name5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione
PubChem CID19041926
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Name5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione
SMILESCOCc1nc2c(OC)c3c(=O)n(C)cnc3c(OC)c2c(=O)n1C
InChIInChI=1S/C16H18N4O5/c1-19-7-17-11-9(15(19)21)14(25-5)12-10(13(11)24-4)16(22)20(2)8(18-12)6-23-3/h7H,6H2,1-5H3
InChIKeyOGVMTNOVWYKGNH-UHFFFAOYSA-N
XLogP0.34
TPSA97.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
The IUPAC name of 5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione (CID 19041926) is 5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione.
What is the SMILES notation for 5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
The canonical SMILES for 5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione is COCc1nc2c(OC)c3c(=O)n(C)cnc3c(OC)c2c(=O)n1C.
What is the InChIKey of 5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
The InChIKey is OGVMTNOVWYKGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-19-7-17-11-9(15(19)21)14(25-5)12-10(13(11)24-4)16(22)20(2)8(18-12)6-23-3/h7H,6H2,1-5H3.
What are the key properties of 5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione has a molecular weight of 346.34 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethoxy-2-(methoxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione is sourced from PubChem (CID 19041926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).