1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione

C10H8N6O3 — CID 135510405

IUPAC1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione
SMILESCn1c(=O)c2nc3nc[nH]c(=O)c3nc2n(C)c1=O
InChIInChI=1S/C10H8N6O3/c1-15-7-5(9(18)16(2)10(15)19)13-6-4(14-7)8(17)12-3-11-6/h3H,1-2H3,(H,11,12,13,17)
InChIKeyAVDHPOWFUFYJBV-UHFFFAOYSA-N
MW260.21 g/mol
LogP-1.74
Rot. Bonds

About 1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione

1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione (PubChem CID 135510405) has the molecular formula C10H8N6O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is 1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione.

Molecular Properties

Compound Name1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione
PubChem CID135510405
Molecular FormulaC10H8N6O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Name1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione
SMILESCn1c(=O)c2nc3nc[nH]c(=O)c3nc2n(C)c1=O
InChIInChI=1S/C10H8N6O3/c1-15-7-5(9(18)16(2)10(15)19)13-6-4(14-7)8(17)12-3-11-6/h3H,1-2H3,(H,11,12,13,17)
InChIKeyAVDHPOWFUFYJBV-UHFFFAOYSA-N
XLogP-1.74
TPSA115.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione?
The IUPAC name of 1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione (CID 135510405) is 1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione.
What is the SMILES notation for 1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione?
The canonical SMILES for 1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione is Cn1c(=O)c2nc3nc[nH]c(=O)c3nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione?
The InChIKey is AVDHPOWFUFYJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O3/c1-15-7-5(9(18)16(2)10(15)19)13-6-4(14-7)8(17)12-3-11-6/h3H,1-2H3,(H,11,12,13,17).
What are the key properties of 1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione?
1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione has a molecular weight of 260.21 g/mol, XLogP of -1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione is sourced from PubChem (CID 135510405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).