6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione

C7H9FN2O2 — CID 22832100

IUPAC6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCc1c(F)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H9FN2O2/c1-4-5(8)9(2)7(12)10(3)6(4)11/h1-3H3
InChIKeyJOVPUTNXTDGNFR-UHFFFAOYSA-N
MW172.16 g/mol
LogP-0.47
Rot. Bonds

About 6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione

6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione (PubChem CID 22832100) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione
PubChem CID22832100
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCc1c(F)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H9FN2O2/c1-4-5(8)9(2)7(12)10(3)6(4)11/h1-3H3
InChIKeyJOVPUTNXTDGNFR-UHFFFAOYSA-N
XLogP-0.47
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Dimethylthymine
CID 78112
6-Amino-1,5-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 5050734
1,3,5,6-Tetramethylpyrimidine-2,4(1H,3H)-dione
CID 13076782
1,3-Dimethyl-5-trifluoromethyluracil
CID 11333246
6-Fluoro-1,5-dimethylpyrimidine-2,4(1H,3H)-dione
CID 22832106
6-amino-1,3,5-trimethylpyrimidine-2,4(1H,3H)-dione
CID 251387
6-Fluoro-3,5-dimethylpyrimidine-2,4(1H,3H)-dione
CID 71336813
5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 164674497
6-chloro-5-(difluoromethyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 171716702
6-Hydroxy-1,3,5-trimethylpyrimidine-2,4-dione
CID 18512447
1,3,5-Trimethyl-2,6-dioxopyrimidin-4-olate
CID 20761320
6-Amino-1,3-dimethyl-5-trifluoromethyluracil
CID 57693260

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione?
The IUPAC name of 6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione (CID 22832100) is 6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione is Cc1c(F)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione?
The InChIKey is JOVPUTNXTDGNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-4-5(8)9(2)7(12)10(3)6(4)11/h1-3H3.
What are the key properties of 6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione?
6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione has a molecular weight of 172.16 g/mol, XLogP of -0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3,5-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 22832100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).