1,4-dihydropteridine

C6H6N4 — CID 45080412

IUPAC1,4-dihydropteridine
SMILESC1=NCc2nccnc2N1
InChIInChI=1S/C6H6N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-2,4H,3H2,(H,7,9,10)
InChIKeyJBNBYKWDFWNCFV-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.43
Rot. Bonds

About 1,4-dihydropteridine

1,4-dihydropteridine (PubChem CID 45080412) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 1,4-dihydropteridine.

Molecular Properties

Compound Name1,4-dihydropteridine
PubChem CID45080412
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name1,4-dihydropteridine
SMILESC1=NCc2nccnc2N1
InChIInChI=1S/C6H6N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-2,4H,3H2,(H,7,9,10)
InChIKeyJBNBYKWDFWNCFV-UHFFFAOYSA-N
XLogP0.43
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropteridine?
The IUPAC name of 1,4-dihydropteridine (CID 45080412) is 1,4-dihydropteridine.
What is the SMILES notation for 1,4-dihydropteridine?
The canonical SMILES for 1,4-dihydropteridine is C1=NCc2nccnc2N1.
What is the InChIKey of 1,4-dihydropteridine?
The InChIKey is JBNBYKWDFWNCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-2,4H,3H2,(H,7,9,10).
What are the key properties of 1,4-dihydropteridine?
1,4-dihydropteridine has a molecular weight of 134.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropteridine is sourced from PubChem (CID 45080412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).