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

C12H10N4O4 — CID 135775444

IUPAC5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione
SMILESCc1nc2c(O)c3c(=O)[nH]c(C)nc3c(O)c2c(=O)[nH]1
InChIInChI=1S/C12H10N4O4/c1-3-13-7-5(11(19)15-3)10(18)8-6(9(7)17)12(20)16-4(2)14-8/h17-18H,1-2H3,(H,13,15,19)(H,14,16,20)
InChIKeyPWWFWQJNFVLRFK-UHFFFAOYSA-N
MW274.24 g/mol
LogP0.19
Rot. Bonds

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

5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione (PubChem CID 135775444) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione.

Molecular Properties

Compound Name5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione
PubChem CID135775444
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione
SMILESCc1nc2c(O)c3c(=O)[nH]c(C)nc3c(O)c2c(=O)[nH]1
InChIInChI=1S/C12H10N4O4/c1-3-13-7-5(11(19)15-3)10(18)8-6(9(7)17)12(20)16-4(2)14-8/h17-18H,1-2H3,(H,13,15,19)(H,14,16,20)
InChIKeyPWWFWQJNFVLRFK-UHFFFAOYSA-N
XLogP0.19
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione?
The IUPAC name of 5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione (CID 135775444) is 5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione.
What is the SMILES notation for 5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione?
The canonical SMILES for 5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione is Cc1nc2c(O)c3c(=O)[nH]c(C)nc3c(O)c2c(=O)[nH]1.
What is the InChIKey of 5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione?
The InChIKey is PWWFWQJNFVLRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c1-3-13-7-5(11(19)15-3)10(18)8-6(9(7)17)12(20)16-4(2)14-8/h17-18H,1-2H3,(H,13,15,19)(H,14,16,20).
What are the key properties of 5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione?
5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione has a molecular weight of 274.24 g/mol, XLogP of 0.19, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydroxy-2,7-dimethyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione is sourced from PubChem (CID 135775444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).