1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione

C16H26N4O3 — CID 3749603

IUPAC1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCCCn1c(O)c(C(CC)=NN2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O3/c1-3-5-11-20-15(22)13(14(21)17-16(20)23)12(4-2)18-19-9-7-6-8-10-19/h22H,3-11H2,1-2H3,(H,17,21,23)
InChIKeyCMJYLXDMDORDFY-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.64
Rot. Bonds6

About 1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione

1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 3749603) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID3749603
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCCCn1c(O)c(C(CC)=NN2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O3/c1-3-5-11-20-15(22)13(14(21)17-16(20)23)12(4-2)18-19-9-7-6-8-10-19/h22H,3-11H2,1-2H3,(H,17,21,23)
InChIKeyCMJYLXDMDORDFY-UHFFFAOYSA-N
XLogP1.64
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione (CID 3749603) is 1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione is CCCCn1c(O)c(C(CC)=NN2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is CMJYLXDMDORDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-5-11-20-15(22)13(14(21)17-16(20)23)12(4-2)18-19-9-7-6-8-10-19/h22H,3-11H2,1-2H3,(H,17,21,23).
What are the key properties of 1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione?
1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(C-ethyl-N-piperidin-1-ylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3749603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).