2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione

C7H9N5O2 — CID 20975263

IUPAC2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione
SMILESCN1c2ncc(=O)[nH]c2C(=O)NC1N
InChIInChI=1S/C7H9N5O2/c1-12-5-4(6(14)11-7(12)8)10-3(13)2-9-5/h2,7H,8H2,1H3,(H,10,13)(H,11,14)
InChIKeyMIHTWDJXQUDMAG-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.81
Rot. Bonds

About 2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione

2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione (PubChem CID 20975263) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione.

Molecular Properties

Compound Name2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione
PubChem CID20975263
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione
SMILESCN1c2ncc(=O)[nH]c2C(=O)NC1N
InChIInChI=1S/C7H9N5O2/c1-12-5-4(6(14)11-7(12)8)10-3(13)2-9-5/h2,7H,8H2,1H3,(H,10,13)(H,11,14)
InChIKeyMIHTWDJXQUDMAG-UHFFFAOYSA-N
XLogP-1.81
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione?
The IUPAC name of 2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione (CID 20975263) is 2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione.
What is the SMILES notation for 2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione?
The canonical SMILES for 2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione is CN1c2ncc(=O)[nH]c2C(=O)NC1N.
What is the InChIKey of 2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione?
The InChIKey is MIHTWDJXQUDMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-12-5-4(6(14)11-7(12)8)10-3(13)2-9-5/h2,7H,8H2,1H3,(H,10,13)(H,11,14).
What are the key properties of 2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione?
2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione has a molecular weight of 195.18 g/mol, XLogP of -1.81, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-3,5-dihydro-2H-pteridine-4,6-dione is sourced from PubChem (CID 20975263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).