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

C18H18F2N4O2 — CID 118430420

IUPAC2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methylpyrimidine
SMILESCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1
InChIInChI=1S/C18H18F2N4O2/c1-10(2)25-17-15(26-16-13(19)6-5-7-14(16)20)12(4)24(23-17)18-21-8-11(3)9-22-18/h5-10H,1-4H3
InChIKeyHCWLNJACQXQBCE-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.14
Rot. Bonds5

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

2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methylpyrimidine (PubChem CID 118430420) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methylpyrimidine
PubChem CID118430420
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methylpyrimidine
SMILESCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1
InChIInChI=1S/C18H18F2N4O2/c1-10(2)25-17-15(26-16-13(19)6-5-7-14(16)20)12(4)24(23-17)18-21-8-11(3)9-22-18/h5-10H,1-4H3
InChIKeyHCWLNJACQXQBCE-UHFFFAOYSA-N
XLogP4.14
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methylpyrimidine 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
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine
CID 850354
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)-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
4-[7-(1-Phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]morpholine
CID 3417674
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-methylpyrimidine?
The IUPAC name of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methylpyrimidine (CID 118430420) is 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methylpyrimidine is Cc1cnc(-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-methylpyrimidine?
The InChIKey is HCWLNJACQXQBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-10(2)25-17-15(26-16-13(19)6-5-7-14(16)20)12(4)24(23-17)18-21-8-11(3)9-22-18/h5-10H,1-4H3.
What are the key properties of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methylpyrimidine?
2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methylpyrimidine has a molecular weight of 360.36 g/mol, XLogP of 4.14, 5 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-methylpyrimidine is sourced from PubChem (CID 118430420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).