1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione

C10H9F5N2O2 — CID 10902121

IUPAC1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
SMILESCc1c(/C(F)=C(/F)C(F)(F)F)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H9F5N2O2/c1-4-5(6(11)7(12)10(13,14)15)8(18)17(3)9(19)16(4)2/h1-3H3/b7-6-
InChIKeyWESQKGFHDWKDSP-SREVYHEPSA-N
MW284.18 g/mol
LogP1.56
Rot. Bonds1

About 1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione

1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione (PubChem CID 10902121) has the molecular formula C10H9F5N2O2 and a molecular weight of 284.18 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
PubChem CID10902121
Molecular FormulaC10H9F5N2O2
Molecular Weight284.18 g/mol
Exact Mass284.06
IUPAC Name1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
SMILESCc1c(/C(F)=C(/F)C(F)(F)F)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H9F5N2O2/c1-4-5(6(11)7(12)10(13,14)15)8(18)17(3)9(19)16(4)2/h1-3H3/b7-6-
InChIKeyWESQKGFHDWKDSP-SREVYHEPSA-N
XLogP1.56
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

Ethane;1,3,5-trimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 142067519
3-Tert-butyl-1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 168097046
(5E,7Z,9Z)-5-fluoro-1,3-dimethylcycloocta[d]pyrimidine-2,4-dione
CID 10036988
(5Z,7E,9Z)-8-fluoro-1,3-dimethylcycloocta[d]pyrimidine-2,4-dione
CID 10059912
(5Z,7Z,9E)-9-fluoro-1,3-dimethylcycloocta[d]pyrimidine-2,4-dione
CID 10353978
(5E,7Z,9Z)-6-fluoro-1,3-dimethylcycloocta[d]pyrimidine-2,4-dione
CID 10399112
6-Ethyl-5-fluoro-1,3-dimethylpyrimidine-2,4-dione
CID 11137834
1,3,6-Trimethyl-5-(1,2,2-trifluoroethenyl)pyrimidine-2,4-dione
CID 11139039
(5Z,7E,9Z)-7-fluoro-1,3-dimethylcycloocta[d]pyrimidine-2,4-dione
CID 11776187
1,3,5-trimethyl-6-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione
CID 11991502
1,3-dimethyl-5-[(E)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione
CID 101565341
1,3-dimethyl-5-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]pyrimidine-2,4-dione
CID 101565342

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione (CID 10902121) is 1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione is Cc1c(/C(F)=C(/F)C(F)(F)F)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione?
The InChIKey is WESQKGFHDWKDSP-SREVYHEPSA-N. The full InChI is InChI=1S/C10H9F5N2O2/c1-4-5(6(11)7(12)10(13,14)15)8(18)17(3)9(19)16(4)2/h1-3H3/b7-6-.
What are the key properties of 1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione?
1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione has a molecular weight of 284.18 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10902121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).