2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid

C18H20FN3O3 — CID 110258410

IUPAC2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid
SMILESCc1cc(Oc2ccccc2F)nc(C2CCCCN2CC(=O)O)n1
InChIInChI=1S/C18H20FN3O3/c1-12-10-16(25-15-8-3-2-6-13(15)19)21-18(20-12)14-7-4-5-9-22(14)11-17(23)24/h2-3,6,8,10,14H,4-5,7,9,11H2,1H3,(H,23,24)
InChIKeyBKGXLEUNXDQTPR-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.33
Rot. Bonds5

About 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid

2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid (PubChem CID 110258410) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid
PubChem CID110258410
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid
SMILESCc1cc(Oc2ccccc2F)nc(C2CCCCN2CC(=O)O)n1
InChIInChI=1S/C18H20FN3O3/c1-12-10-16(25-15-8-3-2-6-13(15)19)21-18(20-12)14-7-4-5-9-22(14)11-17(23)24/h2-3,6,8,10,14H,4-5,7,9,11H2,1H3,(H,23,24)
InChIKeyBKGXLEUNXDQTPR-UHFFFAOYSA-N
XLogP3.33
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110270143
2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 110256239
4-(2-fluorophenoxy)-6-methyl-2-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95844253
1-[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95843653
1-[3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270129
cyclopropyl-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822243
2-(dimethylamino)-1-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95844083
(1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110270227
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 175657255
[(2R)-2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[3-(imidazol-1-ylmethyl)phenyl]methanone
CID 129457642
4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine
CID 175662265
[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95844319

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid (CID 110258410) is 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid is Cc1cc(Oc2ccccc2F)nc(C2CCCCN2CC(=O)O)n1.
What is the InChIKey of 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid?
The InChIKey is BKGXLEUNXDQTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-10-16(25-15-8-3-2-6-13(15)19)21-18(20-12)14-7-4-5-9-22(14)11-17(23)24/h2-3,6,8,10,14H,4-5,7,9,11H2,1H3,(H,23,24).
What are the key properties of 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid?
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid has a molecular weight of 345.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 110258410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).