4-amino-8-methyl-3H-pteridine-2,7-dione

C7H7N5O2 — CID 165430669

IUPAC4-amino-8-methyl-3H-pteridine-2,7-dione
SMILESCn1c(=O)cnc2c(N)[nH]c(=O)nc21
InChIInChI=1S/C7H7N5O2/c1-12-3(13)2-9-4-5(8)10-7(14)11-6(4)12/h2H,1H3,(H3,8,10,11,14)
InChIKeyIIYMXMJOUCDTSZ-UHFFFAOYSA-N
MW193.17 g/mol
LogP-1.40
Rot. Bonds

About 4-amino-8-methyl-3H-pteridine-2,7-dione

4-amino-8-methyl-3H-pteridine-2,7-dione (PubChem CID 165430669) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 4-amino-8-methyl-3H-pteridine-2,7-dione.

Molecular Properties

Compound Name4-amino-8-methyl-3H-pteridine-2,7-dione
PubChem CID165430669
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name4-amino-8-methyl-3H-pteridine-2,7-dione
SMILESCn1c(=O)cnc2c(N)[nH]c(=O)nc21
InChIInChI=1S/C7H7N5O2/c1-12-3(13)2-9-4-5(8)10-7(14)11-6(4)12/h2H,1H3,(H3,8,10,11,14)
InChIKeyIIYMXMJOUCDTSZ-UHFFFAOYSA-N
XLogP-1.40
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-methyl-3H-pteridine-2,7-dione?
The IUPAC name of 4-amino-8-methyl-3H-pteridine-2,7-dione (CID 165430669) is 4-amino-8-methyl-3H-pteridine-2,7-dione.
What is the SMILES notation for 4-amino-8-methyl-3H-pteridine-2,7-dione?
The canonical SMILES for 4-amino-8-methyl-3H-pteridine-2,7-dione is Cn1c(=O)cnc2c(N)[nH]c(=O)nc21.
What is the InChIKey of 4-amino-8-methyl-3H-pteridine-2,7-dione?
The InChIKey is IIYMXMJOUCDTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-12-3(13)2-9-4-5(8)10-7(14)11-6(4)12/h2H,1H3,(H3,8,10,11,14).
What are the key properties of 4-amino-8-methyl-3H-pteridine-2,7-dione?
4-amino-8-methyl-3H-pteridine-2,7-dione has a molecular weight of 193.17 g/mol, XLogP of -1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-methyl-3H-pteridine-2,7-dione is sourced from PubChem (CID 165430669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).