3-propan-2-yl-8H-pteridine-2,7-dione

C9H10N4O2 — CID 122543712

IUPAC3-propan-2-yl-8H-pteridine-2,7-dione
SMILESCC(C)n1cc2ncc(=O)[nH]c2nc1=O
InChIInChI=1S/C9H10N4O2/c1-5(2)13-4-6-8(12-9(13)15)11-7(14)3-10-6/h3-5H,1-2H3,(H,11,12,14,15)
InChIKeyKFQPBEHFKDOOPB-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.06
Rot. Bonds1

About 3-propan-2-yl-8H-pteridine-2,7-dione

3-propan-2-yl-8H-pteridine-2,7-dione (PubChem CID 122543712) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-propan-2-yl-8H-pteridine-2,7-dione.

Molecular Properties

Compound Name3-propan-2-yl-8H-pteridine-2,7-dione
PubChem CID122543712
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name3-propan-2-yl-8H-pteridine-2,7-dione
SMILESCC(C)n1cc2ncc(=O)[nH]c2nc1=O
InChIInChI=1S/C9H10N4O2/c1-5(2)13-4-6-8(12-9(13)15)11-7(14)3-10-6/h3-5H,1-2H3,(H,11,12,14,15)
InChIKeyKFQPBEHFKDOOPB-UHFFFAOYSA-N
XLogP0.06
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-8H-pteridine-2,7-dione?
The IUPAC name of 3-propan-2-yl-8H-pteridine-2,7-dione (CID 122543712) is 3-propan-2-yl-8H-pteridine-2,7-dione.
What is the SMILES notation for 3-propan-2-yl-8H-pteridine-2,7-dione?
The canonical SMILES for 3-propan-2-yl-8H-pteridine-2,7-dione is CC(C)n1cc2ncc(=O)[nH]c2nc1=O.
What is the InChIKey of 3-propan-2-yl-8H-pteridine-2,7-dione?
The InChIKey is KFQPBEHFKDOOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5(2)13-4-6-8(12-9(13)15)11-7(14)3-10-6/h3-5H,1-2H3,(H,11,12,14,15).
What are the key properties of 3-propan-2-yl-8H-pteridine-2,7-dione?
3-propan-2-yl-8H-pteridine-2,7-dione has a molecular weight of 206.20 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-8H-pteridine-2,7-dione is sourced from PubChem (CID 122543712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).