3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione

C16H19N3O3 — CID 166960476

IUPAC3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione
SMILESC/C=C\c1nc(C)n(C2CCC(=O)NC2=O)c(=O)c1/C=C\C
InChIInChI=1S/C16H19N3O3/c1-4-6-11-12(7-5-2)17-10(3)19(16(11)22)13-8-9-14(20)18-15(13)21/h4-7,13H,8-9H2,1-3H3,(H,18,20,21)/b6-4-,7-5-
InChIKeyAMLDEZVYNRTNKH-PEPZGXQESA-N
MW301.35 g/mol
LogP1.60
Rot. Bonds3

About 3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione

3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione (PubChem CID 166960476) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione
PubChem CID166960476
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione
SMILESC/C=C\c1nc(C)n(C2CCC(=O)NC2=O)c(=O)c1/C=C\C
InChIInChI=1S/C16H19N3O3/c1-4-6-11-12(7-5-2)17-10(3)19(16(11)22)13-8-9-14(20)18-15(13)21/h4-7,13H,8-9H2,1-3H3,(H,18,20,21)/b6-4-,7-5-
InChIKeyAMLDEZVYNRTNKH-PEPZGXQESA-N
XLogP1.60
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione (CID 166960476) is 3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione is C/C=C\c1nc(C)n(C2CCC(=O)NC2=O)c(=O)c1/C=C\C.
What is the InChIKey of 3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione?
The InChIKey is AMLDEZVYNRTNKH-PEPZGXQESA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-6-11-12(7-5-2)17-10(3)19(16(11)22)13-8-9-14(20)18-15(13)21/h4-7,13H,8-9H2,1-3H3,(H,18,20,21)/b6-4-,7-5-.
What are the key properties of 3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione?
3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione has a molecular weight of 301.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-oxo-4,5-bis[(Z)-prop-1-enyl]pyrimidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 166960476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).