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

C7H7N5O2 — CID 8853189

IUPAC2-amino-3-methyl-8H-pteridine-4,7-dione
SMILESCn1c(N)nc2[nH]c(=O)cnc2c1=O
InChIInChI=1S/C7H7N5O2/c1-12-6(14)4-5(11-7(12)8)10-3(13)2-9-4/h2H,1H3,(H3,8,10,11,13)
InChIKeyRFTAPWOOGAINRY-UHFFFAOYSA-N
MW193.17 g/mol
LogP-1.40
Rot. Bonds

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

2-amino-3-methyl-8H-pteridine-4,7-dione (PubChem CID 8853189) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-amino-3-methyl-8H-pteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-3-methyl-8H-pteridine-4,7-dione
PubChem CID8853189
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-amino-3-methyl-8H-pteridine-4,7-dione
SMILESCn1c(N)nc2[nH]c(=O)cnc2c1=O
InChIInChI=1S/C7H7N5O2/c1-12-6(14)4-5(11-7(12)8)10-3(13)2-9-4/h2H,1H3,(H3,8,10,11,13)
InChIKeyRFTAPWOOGAINRY-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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Related Compounds

Isoxanthopterin
CID 135398700
Xanthopterin
CID 135403800
2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one
CID 135454624
2-amino-8-methyl-4,7(3H,8H)-pteridinedione
CID 135508303
4,6-Pteridinedione, 2-amino-3,5-dihydro-, hydrate (1:1)
CID 135465063
Pepteridine B
CID 146684613
7,8-Dihydropterin
CID 135440520
4(3H)-Pteridinone, 7,8-dihydro-
CID 135743866
Luciopterin
CID 192712
1,3-dimethyl-8H-pteridine-2,4,7-trione
CID 822209
pteridine-4,7(3H,8H)-dione
CID 135478033
1-methyl-5H-pteridine-2,4,6-trione
CID 3521017

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-8H-pteridine-4,7-dione?
The IUPAC name of 2-amino-3-methyl-8H-pteridine-4,7-dione (CID 8853189) is 2-amino-3-methyl-8H-pteridine-4,7-dione.
What is the SMILES notation for 2-amino-3-methyl-8H-pteridine-4,7-dione?
The canonical SMILES for 2-amino-3-methyl-8H-pteridine-4,7-dione is Cn1c(N)nc2[nH]c(=O)cnc2c1=O.
What is the InChIKey of 2-amino-3-methyl-8H-pteridine-4,7-dione?
The InChIKey is RFTAPWOOGAINRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-12-6(14)4-5(11-7(12)8)10-3(13)2-9-4/h2H,1H3,(H3,8,10,11,13).
What are the key properties of 2-amino-3-methyl-8H-pteridine-4,7-dione?
2-amino-3-methyl-8H-pteridine-4,7-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 2-amino-3-methyl-8H-pteridine-4,7-dione is sourced from PubChem (CID 8853189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).