2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine

C20H22F2N4O2 — CID 118430443

IUPAC2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine
SMILESCCCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1
InChIInChI=1S/C20H22F2N4O2/c1-5-7-14-10-23-20(24-11-14)26-13(4)17(19(25-26)27-12(2)3)28-18-15(21)8-6-9-16(18)22/h6,8-12H,5,7H2,1-4H3
InChIKeyAQTOKNPQAKIMKJ-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.78
Rot. Bonds7

About 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine

2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine (PubChem CID 118430443) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine
PubChem CID118430443
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine
SMILESCCCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1
InChIInChI=1S/C20H22F2N4O2/c1-5-7-14-10-23-20(24-11-14)26-13(4)17(19(25-26)27-12(2)3)28-18-15(21)8-6-9-16(18)22/h6,8-12H,5,7H2,1-4H3
InChIKeyAQTOKNPQAKIMKJ-UHFFFAOYSA-N
XLogP4.78
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine with MolForge

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Related Compounds

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
Dhodh-IN-1
CID 118430456
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
CID 118430570
hDHODH-IN-3
CID 118430627
2-(4-(2,6-difluorophenoxy)-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl)pyrimidine
CID 118430649
N'-{7-[1-(3-fluorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N,N-dimethyliminoformamide
CID 9634425
Ipp/cnrs-A019
CID 118430525
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine
CID 118430537
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-ethylpyrimidine
CID 118430651
N'-[7-[1-(4-fluorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 5909635
2-[3,5-Dimethyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]oxyphenol
CID 4465636
N'-{7-[1-(2-fluorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N,N-dimethyliminoformamide
CID 9633432

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine?
The IUPAC name of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine (CID 118430443) is 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine.
What is the SMILES notation for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine?
The canonical SMILES for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine is CCCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1.
What is the InChIKey of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine?
The InChIKey is AQTOKNPQAKIMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c1-5-7-14-10-23-20(24-11-14)26-13(4)17(19(25-26)27-12(2)3)28-18-15(21)8-6-9-16(18)22/h6,8-12H,5,7H2,1-4H3.
What are the key properties of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine?
2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine has a molecular weight of 388.42 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-propylpyrimidine is sourced from PubChem (CID 118430443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).