1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione

C12H14FN3O3 — CID 11219343

IUPAC1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C/C(F)=C2\CCNC(=O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C12H14FN3O3/c1-7-5-16(12(19)15-11(7)18)6-9(13)8-2-3-14-10(17)4-8/h5H,2-4,6H2,1H3,(H,14,17)(H,15,18,19)/b9-8-
InChIKeyJNUKPHOEWNQICF-HJWRWDBZSA-N
MW267.26 g/mol
LogP-0.02
Rot. Bonds2

About 1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione

1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 11219343) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione
PubChem CID11219343
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C/C(F)=C2\CCNC(=O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C12H14FN3O3/c1-7-5-16(12(19)15-11(7)18)6-9(13)8-2-3-14-10(17)4-8/h5H,2-4,6H2,1H3,(H,14,17)(H,15,18,19)/b9-8-
InChIKeyJNUKPHOEWNQICF-HJWRWDBZSA-N
XLogP-0.02
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione (CID 11219343) is 1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C/C(F)=C2\CCNC(=O)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is JNUKPHOEWNQICF-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-7-5-16(12(19)15-11(7)18)6-9(13)8-2-3-14-10(17)4-8/h5H,2-4,6H2,1H3,(H,14,17)(H,15,18,19)/b9-8-.
What are the key properties of 1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione?
1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 267.26 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-fluoro-2-(2-oxopiperidin-4-ylidene)ethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11219343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).