2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine

C15H20F4N2O2 — CID 154524111

IUPAC2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine
SMILESCCCc1cnc(C(F)(F)CCCC2COC(F)(F)OC2)nc1
InChIInChI=1S/C15H20F4N2O2/c1-2-4-11-7-20-13(21-8-11)14(16,17)6-3-5-12-9-22-15(18,19)23-10-12/h7-8,12H,2-6,9-10H2,1H3
InChIKeyGBSFOBUEQVJOSU-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.90
Rot. Bonds7

About 2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine

2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine (PubChem CID 154524111) has the molecular formula C15H20F4N2O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine
PubChem CID154524111
Molecular FormulaC15H20F4N2O2
Molecular Weight336.33 g/mol
Exact Mass336.15
IUPAC Name2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine
SMILESCCCc1cnc(C(F)(F)CCCC2COC(F)(F)OC2)nc1
InChIInChI=1S/C15H20F4N2O2/c1-2-4-11-7-20-13(21-8-11)14(16,17)6-3-5-12-9-22-15(18,19)23-10-12/h7-8,12H,2-6,9-10H2,1H3
InChIKeyGBSFOBUEQVJOSU-UHFFFAOYSA-N
XLogP3.90
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
CID 59875976
2-(4-fluoropiperidin-4-yl)-5-propylpyridine
CID 123706205
propane;5-propyl-2-(2,3,3-trimethylbutan-2-yl)pyrimidine
CID 142360935
4-heptyl-1-(5-propylpyrimidin-2-yl)cyclohexane-1-carbonitrile
CID 18596758
2-[4-[3-(4-decylcyclohexyl)propoxy]phenyl]-5-propylpyrimidine
CID 19738942
5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839891
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-propylpyrimidine
CID 19839620
2-[(1R,4S)-2,2-difluoro-4-(4-pentylcyclohexyl)cyclohexyl]-5-octylpyrimidine
CID 139604045
5-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)pyridine
CID 19765470
5-butyl-2-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839937
2-(4-heptylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 54214965

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine?
The IUPAC name of 2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine (CID 154524111) is 2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine.
What is the SMILES notation for 2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine?
The canonical SMILES for 2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine is CCCc1cnc(C(F)(F)CCCC2COC(F)(F)OC2)nc1.
What is the InChIKey of 2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine?
The InChIKey is GBSFOBUEQVJOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2O2/c1-2-4-11-7-20-13(21-8-11)14(16,17)6-3-5-12-9-22-15(18,19)23-10-12/h7-8,12H,2-6,9-10H2,1H3.
What are the key properties of 2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine?
2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine has a molecular weight of 336.33 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoro-1,3-dioxan-5-yl)-1,1-difluorobutyl]-5-propylpyrimidine is sourced from PubChem (CID 154524111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).