7-methoxy-1,3-dimethylpteridine-2,4-dione

C9H10N4O3 — CID 822210

IUPAC7-methoxy-1,3-dimethylpteridine-2,4-dione
SMILESCOc1cnc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C9H10N4O3/c1-12-7-6(8(14)13(2)9(12)15)10-4-5(11-7)16-3/h4H,1-3H3
InChIKeyKTPQWFJVGWFJDN-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.96
Rot. Bonds1

About 7-methoxy-1,3-dimethylpteridine-2,4-dione

7-methoxy-1,3-dimethylpteridine-2,4-dione (PubChem CID 822210) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 7-methoxy-1,3-dimethylpteridine-2,4-dione.

Molecular Properties

Compound Name7-methoxy-1,3-dimethylpteridine-2,4-dione
PubChem CID822210
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name7-methoxy-1,3-dimethylpteridine-2,4-dione
SMILESCOc1cnc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C9H10N4O3/c1-12-7-6(8(14)13(2)9(12)15)10-4-5(11-7)16-3/h4H,1-3H3
InChIKeyKTPQWFJVGWFJDN-UHFFFAOYSA-N
XLogP-0.96
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-
CID 343616
1-Methyl-2,4(1H,3H)-pteridinedione
CID 556817
3-methyl-1H-pteridine-2,4-dione
CID 379345
1-Isobutyl-1H-pteridine-2,4-dione
CID 10584991
6-((2-Hydroxyethyl)amino)-1,3-dimethyl-2,4(1H,3H)-pteridinedione
CID 375734
7-Amino-1,3-dimethyl-2,4(1H,3H)-pteridinedione
CID 343617
1-Butylpteridine-2,4-dione
CID 10513106
1-Propylpteridine-2,4-dione
CID 10584387
1-(Oxolan-3-yl)pteridine-2,4-dione
CID 44382641
6-bromo-1,3-dimethylpteridine-2,4(1H,3H)-dione
CID 641023
1,3,7-Trimethylpteridine-2,4(1h,3h)-dione
CID 249165
AB-323/13887273
CID 822216

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,3-dimethylpteridine-2,4-dione?
The IUPAC name of 7-methoxy-1,3-dimethylpteridine-2,4-dione (CID 822210) is 7-methoxy-1,3-dimethylpteridine-2,4-dione.
What is the SMILES notation for 7-methoxy-1,3-dimethylpteridine-2,4-dione?
The canonical SMILES for 7-methoxy-1,3-dimethylpteridine-2,4-dione is COc1cnc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 7-methoxy-1,3-dimethylpteridine-2,4-dione?
The InChIKey is KTPQWFJVGWFJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-12-7-6(8(14)13(2)9(12)15)10-4-5(11-7)16-3/h4H,1-3H3.
What are the key properties of 7-methoxy-1,3-dimethylpteridine-2,4-dione?
7-methoxy-1,3-dimethylpteridine-2,4-dione has a molecular weight of 222.20 g/mol, XLogP of -0.96, 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-dimethylpteridine-2,4-dione is sourced from PubChem (CID 822210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).