5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione

C12H10N4O5 — CID 135457992

IUPAC5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione
SMILESCc1nc2c(O)c3c(=O)[nH]c(CO)nc3c(O)c2c(=O)[nH]1
InChIInChI=1S/C12H10N4O5/c1-3-13-7-5(11(20)14-3)10(19)8-6(9(7)18)12(21)16-4(2-17)15-8/h17-19H,2H2,1H3,(H,13,14,20)(H,15,16,21)
InChIKeyOCDSAORCSGLXDA-UHFFFAOYSA-N
MW290.24 g/mol
LogP-0.63
Rot. Bonds1

About 5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione

5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione (PubChem CID 135457992) has the molecular formula C12H10N4O5 and a molecular weight of 290.24 g/mol. Its IUPAC name is 5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione.

Molecular Properties

Compound Name5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione
PubChem CID135457992
Molecular FormulaC12H10N4O5
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione
SMILESCc1nc2c(O)c3c(=O)[nH]c(CO)nc3c(O)c2c(=O)[nH]1
InChIInChI=1S/C12H10N4O5/c1-3-13-7-5(11(20)14-3)10(19)8-6(9(7)18)12(21)16-4(2-17)15-8/h17-19H,2H2,1H3,(H,13,14,20)(H,15,16,21)
InChIKeyOCDSAORCSGLXDA-UHFFFAOYSA-N
XLogP-0.63
TPSA152.19 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione?
The IUPAC name of 5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione (CID 135457992) is 5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione.
What is the SMILES notation for 5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione?
The canonical SMILES for 5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione is Cc1nc2c(O)c3c(=O)[nH]c(CO)nc3c(O)c2c(=O)[nH]1.
What is the InChIKey of 5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione?
The InChIKey is OCDSAORCSGLXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O5/c1-3-13-7-5(11(20)14-3)10(19)8-6(9(7)18)12(21)16-4(2-17)15-8/h17-19H,2H2,1H3,(H,13,14,20)(H,15,16,21).
What are the key properties of 5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione?
5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione has a molecular weight of 290.24 g/mol, XLogP of -0.63, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydroxy-2-(hydroxymethyl)-7-methyl-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione is sourced from PubChem (CID 135457992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).