4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine

C16H18FN3O — CID 175662265

IUPAC4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine
SMILESCc1cc(Oc2ccccc2F)nc(C2CCNCC2)n1
InChIInChI=1S/C16H18FN3O/c1-11-10-15(21-14-5-3-2-4-13(14)17)20-16(19-11)12-6-8-18-9-7-12/h2-5,10,12,18H,6-9H2,1H3
InChIKeyGVQYSKUEXFWUID-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.18
Rot. Bonds3

About 4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine

4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine (PubChem CID 175662265) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine
PubChem CID175662265
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine
SMILESCc1cc(Oc2ccccc2F)nc(C2CCNCC2)n1
InChIInChI=1S/C16H18FN3O/c1-11-10-15(21-14-5-3-2-4-13(14)17)20-16(19-11)12-6-8-18-9-7-12/h2-5,10,12,18H,6-9H2,1H3
InChIKeyGVQYSKUEXFWUID-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 175657255
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
4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 95844012
2-(dimethylamino)-1-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95844083
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid
CID 110258410
1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110270143
[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95844319
(6-amino-3-pyridinyl)-[3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110270372
4-(2-fluorophenoxy)-6-methyl-2-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95844253
2-(2-fluorophenoxy)-4,6-dimethylpyrimidine
CID 671376

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine?
The IUPAC name of 4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine (CID 175662265) is 4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine.
What is the SMILES notation for 4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine?
The canonical SMILES for 4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine is Cc1cc(Oc2ccccc2F)nc(C2CCNCC2)n1.
What is the InChIKey of 4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine?
The InChIKey is GVQYSKUEXFWUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11-10-15(21-14-5-3-2-4-13(14)17)20-16(19-11)12-6-8-18-9-7-12/h2-5,10,12,18H,6-9H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine?
4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine has a molecular weight of 287.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine is sourced from PubChem (CID 175662265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).