6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione

C13H22N4O2 — CID 4658650

IUPAC6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-2-3-9-17-11(14)10(12(18)15-13(17)19)16-7-5-4-6-8-16/h2-9,14H2,1H3,(H,15,18,19)
InChIKeyQPMUYTWJJYCOQQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.91
Rot. Bonds4

About 6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione

6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione (PubChem CID 4658650) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione
PubChem CID4658650
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-2-3-9-17-11(14)10(12(18)15-13(17)19)16-7-5-4-6-8-16/h2-9,14H2,1H3,(H,15,18,19)
InChIKeyQPMUYTWJJYCOQQ-UHFFFAOYSA-N
XLogP0.91
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione (CID 4658650) is 6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione is CCCCn1c(N)c(N2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione?
The InChIKey is QPMUYTWJJYCOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-3-9-17-11(14)10(12(18)15-13(17)19)16-7-5-4-6-8-16/h2-9,14H2,1H3,(H,15,18,19).
What are the key properties of 6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione?
6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 4658650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).