1-tert-butylpteridine-2,4-dione

C10H12N4O2 — CID 126722737

IUPAC1-tert-butylpteridine-2,4-dione
SMILESCC(C)(C)n1c(=O)[nH]c(=O)c2nccnc21
InChIInChI=1S/C10H12N4O2/c1-10(2,3)14-7-6(11-4-5-12-7)8(15)13-9(14)16/h4-5H,1-3H3,(H,13,15,16)
InChIKeyIKNSGHDNQZHIJA-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.23
Rot. Bonds

About 1-tert-butylpteridine-2,4-dione

1-tert-butylpteridine-2,4-dione (PubChem CID 126722737) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-tert-butylpteridine-2,4-dione.

Molecular Properties

Compound Name1-tert-butylpteridine-2,4-dione
PubChem CID126722737
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-tert-butylpteridine-2,4-dione
SMILESCC(C)(C)n1c(=O)[nH]c(=O)c2nccnc21
InChIInChI=1S/C10H12N4O2/c1-10(2,3)14-7-6(11-4-5-12-7)8(15)13-9(14)16/h4-5H,1-3H3,(H,13,15,16)
InChIKeyIKNSGHDNQZHIJA-UHFFFAOYSA-N
XLogP0.23
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpteridine-2,4-dione?
The IUPAC name of 1-tert-butylpteridine-2,4-dione (CID 126722737) is 1-tert-butylpteridine-2,4-dione.
What is the SMILES notation for 1-tert-butylpteridine-2,4-dione?
The canonical SMILES for 1-tert-butylpteridine-2,4-dione is CC(C)(C)n1c(=O)[nH]c(=O)c2nccnc21.
What is the InChIKey of 1-tert-butylpteridine-2,4-dione?
The InChIKey is IKNSGHDNQZHIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-10(2,3)14-7-6(11-4-5-12-7)8(15)13-9(14)16/h4-5H,1-3H3,(H,13,15,16).
What are the key properties of 1-tert-butylpteridine-2,4-dione?
1-tert-butylpteridine-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpteridine-2,4-dione is sourced from PubChem (CID 126722737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).