4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine

C17H19FN2O4S — CID 58414660

IUPAC4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine
SMILESCc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1OC(C)C
InChIInChI=1S/C17H19FN2O4S/c1-10(2)23-16-11(3)17(20-9-19-16)24-15-7-6-13(8-14(15)18)25(21,22)12-4-5-12/h6-10,12H,4-5H2,1-3H3
InChIKeyLDSUHHJQTHKOQR-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.44
Rot. Bonds6

About 4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine

4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine (PubChem CID 58414660) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine
PubChem CID58414660
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine
SMILESCc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1OC(C)C
InChIInChI=1S/C17H19FN2O4S/c1-10(2)23-16-11(3)17(20-9-19-16)24-15-7-6-13(8-14(15)18)25(21,22)12-4-5-12/h6-10,12H,4-5H2,1-3H3
InChIKeyLDSUHHJQTHKOQR-UHFFFAOYSA-N
XLogP3.44
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine?
The IUPAC name of 4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine (CID 58414660) is 4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine?
The canonical SMILES for 4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine is Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1OC(C)C.
What is the InChIKey of 4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine?
The InChIKey is LDSUHHJQTHKOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-10(2)23-16-11(3)17(20-9-19-16)24-15-7-6-13(8-14(15)18)25(21,22)12-4-5-12/h6-10,12H,4-5H2,1-3H3.
What are the key properties of 4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine?
4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine has a molecular weight of 366.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 58414660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).