1-propylpteridine-2,4-dione

C9H10N4O2 — CID 10584387

IUPAC1-propylpteridine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2nccnc21
InChIInChI=1S/C9H10N4O2/c1-2-5-13-7-6(10-3-4-11-7)8(14)12-9(13)15/h3-4H,2,5H2,1H3,(H,12,14,15)
InChIKeyJYFXGCWMOFDIPR-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.11
Rot. Bonds2

About 1-propylpteridine-2,4-dione

1-propylpteridine-2,4-dione (PubChem CID 10584387) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-propylpteridine-2,4-dione.

Molecular Properties

Compound Name1-propylpteridine-2,4-dione
PubChem CID10584387
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-propylpteridine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2nccnc21
InChIInChI=1S/C9H10N4O2/c1-2-5-13-7-6(10-3-4-11-7)8(14)12-9(13)15/h3-4H,2,5H2,1H3,(H,12,14,15)
InChIKeyJYFXGCWMOFDIPR-UHFFFAOYSA-N
XLogP-0.11
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propylpteridine-2,4-dione?
The IUPAC name of 1-propylpteridine-2,4-dione (CID 10584387) is 1-propylpteridine-2,4-dione.
What is the SMILES notation for 1-propylpteridine-2,4-dione?
The canonical SMILES for 1-propylpteridine-2,4-dione is CCCn1c(=O)[nH]c(=O)c2nccnc21.
What is the InChIKey of 1-propylpteridine-2,4-dione?
The InChIKey is JYFXGCWMOFDIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-5-13-7-6(10-3-4-11-7)8(14)12-9(13)15/h3-4H,2,5H2,1H3,(H,12,14,15).
What are the key properties of 1-propylpteridine-2,4-dione?
1-propylpteridine-2,4-dione has a molecular weight of 206.21 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpteridine-2,4-dione is sourced from PubChem (CID 10584387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).