2-amino-3-methyl-5H-pteridine-4,6-dione

C7H7N5O2 — CID 171384503

IUPAC2-amino-3-methyl-5H-pteridine-4,6-dione
SMILESCn1c(N)nc2ncc(=O)[nH]c2c1=O
InChIInChI=1S/C7H7N5O2/c1-12-6(14)4-5(11-7(12)8)9-2-3(13)10-4/h2H,1H3,(H,10,13)(H2,8,9,11)
InChIKeySPACNGQCJPJXAI-UHFFFAOYSA-N
MW193.17 g/mol
LogP-1.40
Rot. Bonds

About 2-amino-3-methyl-5H-pteridine-4,6-dione

2-amino-3-methyl-5H-pteridine-4,6-dione (PubChem CID 171384503) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-amino-3-methyl-5H-pteridine-4,6-dione.

Molecular Properties

Compound Name2-amino-3-methyl-5H-pteridine-4,6-dione
PubChem CID171384503
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-amino-3-methyl-5H-pteridine-4,6-dione
SMILESCn1c(N)nc2ncc(=O)[nH]c2c1=O
InChIInChI=1S/C7H7N5O2/c1-12-6(14)4-5(11-7(12)8)9-2-3(13)10-4/h2H,1H3,(H,10,13)(H2,8,9,11)
InChIKeySPACNGQCJPJXAI-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 2-amino-3-methyl-5H-pteridine-4,6-dione?
The IUPAC name of 2-amino-3-methyl-5H-pteridine-4,6-dione (CID 171384503) is 2-amino-3-methyl-5H-pteridine-4,6-dione.
What is the SMILES notation for 2-amino-3-methyl-5H-pteridine-4,6-dione?
The canonical SMILES for 2-amino-3-methyl-5H-pteridine-4,6-dione is Cn1c(N)nc2ncc(=O)[nH]c2c1=O.
What is the InChIKey of 2-amino-3-methyl-5H-pteridine-4,6-dione?
The InChIKey is SPACNGQCJPJXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-12-6(14)4-5(11-7(12)8)9-2-3(13)10-4/h2H,1H3,(H,10,13)(H2,8,9,11).
What are the key properties of 2-amino-3-methyl-5H-pteridine-4,6-dione?
2-amino-3-methyl-5H-pteridine-4,6-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 2-amino-3-methyl-5H-pteridine-4,6-dione is sourced from PubChem (CID 171384503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).