5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C16H26N4O3 — CID 658853

IUPAC5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC/C(=N\CCN1CCCCC1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H26N4O3/c1-4-12(17-8-11-20-9-6-5-7-10-20)13-14(21)18(2)16(23)19(3)15(13)22/h21H,4-11H2,1-3H3/b17-12+
InChIKeyPHOGZZMTSIEABK-SFQUDFHCSA-N
MW322.41 g/mol
LogP0.47
Rot. Bonds5

About 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 658853) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID658853
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC/C(=N\CCN1CCCCC1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H26N4O3/c1-4-12(17-8-11-20-9-6-5-7-10-20)13-14(21)18(2)16(23)19(3)15(13)22/h21H,4-11H2,1-3H3/b17-12+
InChIKeyPHOGZZMTSIEABK-SFQUDFHCSA-N
XLogP0.47
TPSA79.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 658853) is 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is CC/C(=N\CCN1CCCCC1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PHOGZZMTSIEABK-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-4-12(17-8-11-20-9-6-5-7-10-20)13-14(21)18(2)16(23)19(3)15(13)22/h21H,4-11H2,1-3H3/b17-12+.
What are the key properties of 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 658853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).