4-methyl-3,8-dihydropteridine-2,7-dione

C7H6N4O2 — CID 171384062

IUPAC4-methyl-3,8-dihydropteridine-2,7-dione
SMILESCc1[nH]c(=O)nc2[nH]c(=O)cnc12
InChIInChI=1S/C7H6N4O2/c1-3-5-6(11-7(13)9-3)10-4(12)2-8-5/h2H,1H3,(H2,9,10,11,12,13)
InChIKeyKXHHOCWTGPWKIS-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.69
Rot. Bonds

About 4-methyl-3,8-dihydropteridine-2,7-dione

4-methyl-3,8-dihydropteridine-2,7-dione (PubChem CID 171384062) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 4-methyl-3,8-dihydropteridine-2,7-dione.

Molecular Properties

Compound Name4-methyl-3,8-dihydropteridine-2,7-dione
PubChem CID171384062
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name4-methyl-3,8-dihydropteridine-2,7-dione
SMILESCc1[nH]c(=O)nc2[nH]c(=O)cnc12
InChIInChI=1S/C7H6N4O2/c1-3-5-6(11-7(13)9-3)10-4(12)2-8-5/h2H,1H3,(H2,9,10,11,12,13)
InChIKeyKXHHOCWTGPWKIS-UHFFFAOYSA-N
XLogP-0.69
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,8-dihydropteridine-2,7-dione?
The IUPAC name of 4-methyl-3,8-dihydropteridine-2,7-dione (CID 171384062) is 4-methyl-3,8-dihydropteridine-2,7-dione.
What is the SMILES notation for 4-methyl-3,8-dihydropteridine-2,7-dione?
The canonical SMILES for 4-methyl-3,8-dihydropteridine-2,7-dione is Cc1[nH]c(=O)nc2[nH]c(=O)cnc12.
What is the InChIKey of 4-methyl-3,8-dihydropteridine-2,7-dione?
The InChIKey is KXHHOCWTGPWKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-3-5-6(11-7(13)9-3)10-4(12)2-8-5/h2H,1H3,(H2,9,10,11,12,13).
What are the key properties of 4-methyl-3,8-dihydropteridine-2,7-dione?
4-methyl-3,8-dihydropteridine-2,7-dione has a molecular weight of 178.15 g/mol, XLogP of -0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,8-dihydropteridine-2,7-dione is sourced from PubChem (CID 171384062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).