2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione

C7H7N5O3 — CID 135755320

IUPAC2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione
SMILESCn1c(=O)c(=O)[nH]c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H7N5O3/c1-12-3-2(9-5(14)6(12)15)4(13)11-7(8)10-3/h1H3,(H,9,14)(H3,8,10,11,13)
InChIKeyKXFRJQFMYRMWEL-UHFFFAOYSA-N
MW209.16 g/mol
LogP-2.11
Rot. Bonds

About 2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione

2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione (PubChem CID 135755320) has the molecular formula C7H7N5O3 and a molecular weight of 209.16 g/mol. Its IUPAC name is 2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione.

Molecular Properties

Compound Name2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione
PubChem CID135755320
Molecular FormulaC7H7N5O3
Molecular Weight209.16 g/mol
Exact Mass209.05
IUPAC Name2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione
SMILESCn1c(=O)c(=O)[nH]c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C7H7N5O3/c1-12-3-2(9-5(14)6(12)15)4(13)11-7(8)10-3/h1H3,(H,9,14)(H3,8,10,11,13)
InChIKeyKXFRJQFMYRMWEL-UHFFFAOYSA-N
XLogP-2.11
TPSA126.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione?
The IUPAC name of 2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione (CID 135755320) is 2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione.
What is the SMILES notation for 2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione?
The canonical SMILES for 2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione is Cn1c(=O)c(=O)[nH]c2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione?
The InChIKey is KXFRJQFMYRMWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O3/c1-12-3-2(9-5(14)6(12)15)4(13)11-7(8)10-3/h1H3,(H,9,14)(H3,8,10,11,13).
What are the key properties of 2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione?
2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione has a molecular weight of 209.16 g/mol, XLogP of -2.11, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-3,5-dihydropteridine-4,6,7-trione is sourced from PubChem (CID 135755320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).