3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione

C15H19N3O3 — CID 177318647

IUPAC3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
SMILESC/C=c1/c(=O)n(C2CCC(=O)NC2=O)c(C)n/c1=C/CC
InChIInChI=1S/C15H19N3O3/c1-4-6-11-10(5-2)15(21)18(9(3)16-11)12-7-8-13(19)17-14(12)20/h5-6,12H,4,7-8H2,1-3H3,(H,17,19,20)/b10-5+,11-6+
InChIKeyFKXXJRDTPIKCKD-YOYBCKCWSA-N
MW289.34 g/mol
LogP-0.48
Rot. Bonds2

About 3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione

3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione (PubChem CID 177318647) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
PubChem CID177318647
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
SMILESC/C=c1/c(=O)n(C2CCC(=O)NC2=O)c(C)n/c1=C/CC
InChIInChI=1S/C15H19N3O3/c1-4-6-11-10(5-2)15(21)18(9(3)16-11)12-7-8-13(19)17-14(12)20/h5-6,12H,4,7-8H2,1-3H3,(H,17,19,20)/b10-5+,11-6+
InChIKeyFKXXJRDTPIKCKD-YOYBCKCWSA-N
XLogP-0.48
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione with MolForge

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Related Compounds

ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 177009783
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione
CID 139536265
(3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 86345042
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
3-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235872
3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione
CID 177338862
3-(2-methyl-4-oxo-5-prop-1-ynylquinazolin-3-yl)piperidine-2,6-dione
CID 155178271
(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338076
3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 167418527
5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile
CID 146338206
3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 68728143

Frequently Asked Questions

What is the IUPAC name of 3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione (CID 177318647) is 3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione is C/C=c1/c(=O)n(C2CCC(=O)NC2=O)c(C)n/c1=C/CC.
What is the InChIKey of 3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione?
The InChIKey is FKXXJRDTPIKCKD-YOYBCKCWSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-6-11-10(5-2)15(21)18(9(3)16-11)12-7-8-13(19)17-14(12)20/h5-6,12H,4,7-8H2,1-3H3,(H,17,19,20)/b10-5+,11-6+.
What are the key properties of 3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione?
3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione has a molecular weight of 289.34 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 177318647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).