(1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate

C10H10N4O4 — CID 1263220

IUPAC(1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate
SMILESCC(=O)Oc1cnc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H10N4O4/c1-5(15)18-6-4-11-8-7(12-6)9(16)14(3)10(17)13(8)2/h4H,1-3H3
InChIKeyTVRFVLANZCVTHZ-UHFFFAOYSA-N
MW250.21 g/mol
LogP-1.05
Rot. Bonds1

About (1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate

(1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate (PubChem CID 1263220) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is (1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate.

Molecular Properties

Compound Name(1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate
PubChem CID1263220
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name(1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate
SMILESCC(=O)Oc1cnc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H10N4O4/c1-5(15)18-6-4-11-8-7(12-6)9(16)14(3)10(17)13(8)2/h4H,1-3H3
InChIKeyTVRFVLANZCVTHZ-UHFFFAOYSA-N
XLogP-1.05
TPSA96.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate?
The IUPAC name of (1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate (CID 1263220) is (1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate.
What is the SMILES notation for (1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate?
The canonical SMILES for (1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate is CC(=O)Oc1cnc2c(n1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of (1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate?
The InChIKey is TVRFVLANZCVTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-5(15)18-6-4-11-8-7(12-6)9(16)14(3)10(17)13(8)2/h4H,1-3H3.
What are the key properties of (1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate?
(1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate has a molecular weight of 250.21 g/mol, XLogP of -1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate is sourced from PubChem (CID 1263220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).