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

C18H18F2N4O3 — CID 118430567

IUPAC2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrimidine
SMILESCOc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1
InChIInChI=1S/C18H18F2N4O3/c1-10(2)26-17-15(27-16-13(19)6-5-7-14(16)20)11(3)24(23-17)18-21-8-12(25-4)9-22-18/h5-10H,1-4H3
InChIKeyRIMREQXCSPUPJB-UHFFFAOYSA-N
MW376.36 g/mol
LogP3.84
Rot. Bonds6

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

2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrimidine (PubChem CID 118430567) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrimidine
PubChem CID118430567
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrimidine
SMILESCOc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1
InChIInChI=1S/C18H18F2N4O3/c1-10(2)26-17-15(27-16-13(19)6-5-7-14(16)20)11(3)24(23-17)18-21-8-12(25-4)9-22-18/h5-10H,1-4H3
InChIKeyRIMREQXCSPUPJB-UHFFFAOYSA-N
XLogP3.84
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrimidine?
The IUPAC name of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrimidine (CID 118430567) is 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrimidine.
What is the SMILES notation for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrimidine?
The canonical SMILES for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrimidine is COc1cnc(-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-methoxypyrimidine?
The InChIKey is RIMREQXCSPUPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c1-10(2)26-17-15(27-16-13(19)6-5-7-14(16)20)11(3)24(23-17)18-21-8-12(25-4)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-methoxypyrimidine?
2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-methoxypyrimidine has a molecular weight of 376.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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-methoxypyrimidine is sourced from PubChem (CID 118430567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).