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

C20H20F2N4O2 — CID 118430411

IUPAC2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1cnc(C2CC2)nc1
InChIInChI=1S/C20H20F2N4O2/c1-11(2)27-20-17(28-18-15(21)5-4-6-16(18)22)12(3)26(25-20)14-9-23-19(24-10-14)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3
InChIKeyLVEJHKLXDULTIG-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.71
Rot. Bonds6

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

2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine (PubChem CID 118430411) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
PubChem CID118430411
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1cnc(C2CC2)nc1
InChIInChI=1S/C20H20F2N4O2/c1-11(2)27-20-17(28-18-15(21)5-4-6-16(18)22)12(3)26(25-20)14-9-23-19(24-10-14)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3
InChIKeyLVEJHKLXDULTIG-UHFFFAOYSA-N
XLogP4.71
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
The IUPAC name of 2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine (CID 118430411) is 2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine is Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1cnc(C2CC2)nc1.
What is the InChIKey of 2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
The InChIKey is LVEJHKLXDULTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-11(2)27-20-17(28-18-15(21)5-4-6-16(18)22)12(3)26(25-20)14-9-23-19(24-10-14)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine has a molecular weight of 386.40 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine is sourced from PubChem (CID 118430411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).