3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine

C8H13FN2 — CID 144939804

IUPAC3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine
SMILESCC1=CC(C)N(CCF)C=N1
InChIInChI=1S/C8H13FN2/c1-7-5-8(2)11(4-3-9)6-10-7/h5-6,8H,3-4H2,1-2H3
InChIKeyNEOMFIQGVLLMDE-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.59
Rot. Bonds2

About 3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine

3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine (PubChem CID 144939804) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine
PubChem CID144939804
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine
SMILESCC1=CC(C)N(CCF)C=N1
InChIInChI=1S/C8H13FN2/c1-7-5-8(2)11(4-3-9)6-10-7/h5-6,8H,3-4H2,1-2H3
InChIKeyNEOMFIQGVLLMDE-UHFFFAOYSA-N
XLogP1.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
CID 138535079
(5S)-2-[(2R)-butan-2-yl]-7-fluoro-2,4-diazabicyclo[3.3.1]nona-1(8),3,6-triene
CID 146594060
3-methyl-6-(2,2,2-trifluoroethyl)-4H-pyrimidine
CID 166651407
3-ethyl-6-propyl-4H-pyrimidine
CID 53815368
4,6-dimethyl-3-sulfanyl-4H-pyrimidine
CID 54177417
2,3,4,6-tetramethyl-4H-pyrimidine
CID 57268687
3,4,6-trimethyl-4H-pyrimidine
CID 122691160
6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium
CID 123248580
6-ethyl-3-methyl-4H-pyrimidine
CID 138546854
1,4,4,6-Tetramethylpyrimidine
CID 141913289
4,6,6-Trimethyl-1-propan-2-ylpyrimidine
CID 142450046
4-ethyl-3,6-dimethyl-4H-pyrimidine
CID 144625256

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine?
The IUPAC name of 3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine (CID 144939804) is 3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine.
What is the SMILES notation for 3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine?
The canonical SMILES for 3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine is CC1=CC(C)N(CCF)C=N1.
What is the InChIKey of 3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine?
The InChIKey is NEOMFIQGVLLMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-7-5-8(2)11(4-3-9)6-10-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine?
3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine has a molecular weight of 156.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine is sourced from PubChem (CID 144939804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).