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

C14H14N4O6 — CID 10065450

IUPAC5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione
SMILESCn1c(CO)nc2c(O)c3c(=O)n(C)c(CO)nc3c(O)c2c1=O
InChIInChI=1S/C14H14N4O6/c1-17-5(3-19)15-9-7(13(17)23)11(21)10-8(12(9)22)14(24)18(2)6(4-20)16-10/h19-22H,3-4H2,1-2H3
InChIKeyWDXVUKHUYPCURK-UHFFFAOYSA-N
MW334.29 g/mol
LogP-1.42
Rot. Bonds2

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

5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione (PubChem CID 10065450) has the molecular formula C14H14N4O6 and a molecular weight of 334.29 g/mol. Its IUPAC name is 5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione.

Molecular Properties

Compound Name5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione
PubChem CID10065450
Molecular FormulaC14H14N4O6
Molecular Weight334.29 g/mol
Exact Mass334.09
IUPAC Name5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione
SMILESCn1c(CO)nc2c(O)c3c(=O)n(C)c(CO)nc3c(O)c2c1=O
InChIInChI=1S/C14H14N4O6/c1-17-5(3-19)15-9-7(13(17)23)11(21)10-8(12(9)22)14(24)18(2)6(4-20)16-10/h19-22H,3-4H2,1-2H3
InChIKeyWDXVUKHUYPCURK-UHFFFAOYSA-N
XLogP-1.42
TPSA150.70 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

CID 9843842
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CID 11123762
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CID 44367894
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CID 10246433
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CID 10249791
CID 10249791
CID 10384564
CID 10384564
CID 10435576
CID 10435576
CID 10473996
CID 10473996
CID 19041926
CID 19041926
CID 19041928
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CID 135404972
CID 135404972
CID 11734005
CID 11734005

Frequently Asked Questions

What is the IUPAC name of 5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
The IUPAC name of 5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione (CID 10065450) is 5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione.
What is the SMILES notation for 5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
The canonical SMILES for 5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione is Cn1c(CO)nc2c(O)c3c(=O)n(C)c(CO)nc3c(O)c2c1=O.
What is the InChIKey of 5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
The InChIKey is WDXVUKHUYPCURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O6/c1-17-5(3-19)15-9-7(13(17)23)11(21)10-8(12(9)22)14(24)18(2)6(4-20)16-10/h19-22H,3-4H2,1-2H3.
What are the key properties of 5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione?
5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione has a molecular weight of 334.29 g/mol, XLogP of -1.42, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydroxy-2,7-bis(hydroxymethyl)-3,8-dimethylpyrimido[4,5-g]quinazoline-4,9-dione is sourced from PubChem (CID 10065450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).