1-butylpteridine-2,4-dione

C10H12N4O2 — CID 10513106

IUPAC1-butylpteridine-2,4-dione
SMILESCCCCn1c(=O)[nH]c(=O)c2nccnc21
InChIInChI=1S/C10H12N4O2/c1-2-3-6-14-8-7(11-4-5-12-8)9(15)13-10(14)16/h4-5H,2-3,6H2,1H3,(H,13,15,16)
InChIKeyPYKBDRBCHVRBBH-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.28
Rot. Bonds3

About 1-butylpteridine-2,4-dione

1-butylpteridine-2,4-dione (PubChem CID 10513106) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-butylpteridine-2,4-dione.

Molecular Properties

Compound Name1-butylpteridine-2,4-dione
PubChem CID10513106
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-butylpteridine-2,4-dione
SMILESCCCCn1c(=O)[nH]c(=O)c2nccnc21
InChIInChI=1S/C10H12N4O2/c1-2-3-6-14-8-7(11-4-5-12-8)9(15)13-10(14)16/h4-5H,2-3,6H2,1H3,(H,13,15,16)
InChIKeyPYKBDRBCHVRBBH-UHFFFAOYSA-N
XLogP0.28
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butylpteridine-2,4-dione?
The IUPAC name of 1-butylpteridine-2,4-dione (CID 10513106) is 1-butylpteridine-2,4-dione.
What is the SMILES notation for 1-butylpteridine-2,4-dione?
The canonical SMILES for 1-butylpteridine-2,4-dione is CCCCn1c(=O)[nH]c(=O)c2nccnc21.
What is the InChIKey of 1-butylpteridine-2,4-dione?
The InChIKey is PYKBDRBCHVRBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-3-6-14-8-7(11-4-5-12-8)9(15)13-10(14)16/h4-5H,2-3,6H2,1H3,(H,13,15,16).
What are the key properties of 1-butylpteridine-2,4-dione?
1-butylpteridine-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpteridine-2,4-dione is sourced from PubChem (CID 10513106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).