7-methoxy-1,3,6-trimethylpteridine-2,4-dione

C10H12N4O3 — CID 69440037

IUPAC7-methoxy-1,3,6-trimethylpteridine-2,4-dione
SMILESCOc1nc2c(nc1C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H12N4O3/c1-5-8(17-4)12-7-6(11-5)9(15)14(3)10(16)13(7)2/h1-4H3
InChIKeyFVPCBACYWIXFQY-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.66
Rot. Bonds1

About 7-methoxy-1,3,6-trimethylpteridine-2,4-dione

7-methoxy-1,3,6-trimethylpteridine-2,4-dione (PubChem CID 69440037) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 7-methoxy-1,3,6-trimethylpteridine-2,4-dione.

Molecular Properties

Compound Name7-methoxy-1,3,6-trimethylpteridine-2,4-dione
PubChem CID69440037
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name7-methoxy-1,3,6-trimethylpteridine-2,4-dione
SMILESCOc1nc2c(nc1C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H12N4O3/c1-5-8(17-4)12-7-6(11-5)9(15)14(3)10(16)13(7)2/h1-4H3
InChIKeyFVPCBACYWIXFQY-UHFFFAOYSA-N
XLogP-0.66
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid
CID 15359662
1,3-dimethyl-6,7-bis[2-tri(propan-2-yl)silylethynyl]pteridine-2,4-dione
CID 15372365
1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione
CID 135510405
cyclohexane-1,2,3,4,5,6-hexone;5,6-diamino-1,3-dimethylpyrimidine-2,4-dione;5,7,15,17,26,28-hexamethyl-3,5,7,10,13,15,17,20,23,26,28,30-dodecazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1,3,9,11,13,19,21,23,29-nonaene-6,8,16,18,25,27-hexone;methane;octahydrate
CID 160705661
8-(2,5-dimethylpyrrol-1-yl)-1,3-dimethylbenzo[g]pteridine-2,4-dione
CID 2023523
(1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate
CID 1263220
3-(tert-butylamino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione
CID 23735884
1-(6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazin-3-yl)ethyl acetate
CID 10802604
7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione
CID 135442652
8-[(4-methoxyphenyl)methoxy]-1,3,7-trimethylpurine-2,6-dione
CID 947545
methoxymethane;1,3,7-trimethylpurine-2,6-dione
CID 175086770
6,8-dimethyl-3-morpholin-4-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 14823832

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,3,6-trimethylpteridine-2,4-dione?
The IUPAC name of 7-methoxy-1,3,6-trimethylpteridine-2,4-dione (CID 69440037) is 7-methoxy-1,3,6-trimethylpteridine-2,4-dione.
What is the SMILES notation for 7-methoxy-1,3,6-trimethylpteridine-2,4-dione?
The canonical SMILES for 7-methoxy-1,3,6-trimethylpteridine-2,4-dione is COc1nc2c(nc1C)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-methoxy-1,3,6-trimethylpteridine-2,4-dione?
The InChIKey is FVPCBACYWIXFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5-8(17-4)12-7-6(11-5)9(15)14(3)10(16)13(7)2/h1-4H3.
What are the key properties of 7-methoxy-1,3,6-trimethylpteridine-2,4-dione?
7-methoxy-1,3,6-trimethylpteridine-2,4-dione has a molecular weight of 236.23 g/mol, XLogP of -0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,3,6-trimethylpteridine-2,4-dione is sourced from PubChem (CID 69440037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).