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

C7H8N4O2 — CID 57165779

IUPAC1-methyl-3,5-dihydro-2H-pteridine-4,6-dione
SMILESCN1CNC(=O)c2[nH]c(=O)cnc21
InChIInChI=1S/C7H8N4O2/c1-11-3-9-7(13)5-6(11)8-2-4(12)10-5/h2H,3H2,1H3,(H,9,13)(H,10,12)
InChIKeyVPTALYZYWVLRDJ-UHFFFAOYSA-N
MW180.17 g/mol
LogP-1.09
Rot. Bonds

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

1-methyl-3,5-dihydro-2H-pteridine-4,6-dione (PubChem CID 57165779) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-methyl-3,5-dihydro-2H-pteridine-4,6-dione.

Molecular Properties

Compound Name1-methyl-3,5-dihydro-2H-pteridine-4,6-dione
PubChem CID57165779
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name1-methyl-3,5-dihydro-2H-pteridine-4,6-dione
SMILESCN1CNC(=O)c2[nH]c(=O)cnc21
InChIInChI=1S/C7H8N4O2/c1-11-3-9-7(13)5-6(11)8-2-4(12)10-5/h2H,3H2,1H3,(H,9,13)(H,10,12)
InChIKeyVPTALYZYWVLRDJ-UHFFFAOYSA-N
XLogP-1.09
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-dihydro-2H-pteridine-4,6-dione?
The IUPAC name of 1-methyl-3,5-dihydro-2H-pteridine-4,6-dione (CID 57165779) is 1-methyl-3,5-dihydro-2H-pteridine-4,6-dione.
What is the SMILES notation for 1-methyl-3,5-dihydro-2H-pteridine-4,6-dione?
The canonical SMILES for 1-methyl-3,5-dihydro-2H-pteridine-4,6-dione is CN1CNC(=O)c2[nH]c(=O)cnc21.
What is the InChIKey of 1-methyl-3,5-dihydro-2H-pteridine-4,6-dione?
The InChIKey is VPTALYZYWVLRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-11-3-9-7(13)5-6(11)8-2-4(12)10-5/h2H,3H2,1H3,(H,9,13)(H,10,12).
What are the key properties of 1-methyl-3,5-dihydro-2H-pteridine-4,6-dione?
1-methyl-3,5-dihydro-2H-pteridine-4,6-dione has a molecular weight of 180.17 g/mol, XLogP of -1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-dihydro-2H-pteridine-4,6-dione is sourced from PubChem (CID 57165779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).