5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione

C14H14N4O4 — CID 14146992

IUPAC5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione
SMILESCc1nc2c(O)c3c(=O)n(C)c(C)nc3c(O)c2c(=O)n1C
InChIInChI=1S/C14H14N4O4/c1-5-15-9-7(13(21)17(5)3)12(20)10-8(11(9)19)14(22)18(4)6(2)16-10/h19-20H,1-4H3
InChIKeySKGHYOKFLRZJSR-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.21
Rot. Bonds

About 5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione

5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione (PubChem CID 14146992) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione.

Molecular Properties

Compound Name5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione
PubChem CID14146992
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione
SMILESCc1nc2c(O)c3c(=O)n(C)c(C)nc3c(O)c2c(=O)n1C
InChIInChI=1S/C14H14N4O4/c1-5-15-9-7(13(21)17(5)3)12(20)10-8(11(9)19)14(22)18(4)6(2)16-10/h19-20H,1-4H3
InChIKeySKGHYOKFLRZJSR-UHFFFAOYSA-N
XLogP0.21
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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 5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione?
The IUPAC name of 5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione (CID 14146992) is 5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione.
What is the SMILES notation for 5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione?
The canonical SMILES for 5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione is Cc1nc2c(O)c3c(=O)n(C)c(C)nc3c(O)c2c(=O)n1C.
What is the InChIKey of 5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione?
The InChIKey is SKGHYOKFLRZJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-5-15-9-7(13(21)17(5)3)12(20)10-8(11(9)19)14(22)18(4)6(2)16-10/h19-20H,1-4H3.
What are the key properties of 5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione?
5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione has a molecular weight of 302.29 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydroxy-2,3,7,8-tetramethylpyrimido[4,5-g]quinazoline-4,9-dione is sourced from PubChem (CID 14146992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).