2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine

C17H20FN3O3 — CID 163350527

IUPAC2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine
SMILESCOc1cnc(OC2CCN(Cc3ccc(OC)c(F)c3)C2)nc1
InChIInChI=1S/C17H20FN3O3/c1-22-14-8-19-17(20-9-14)24-13-5-6-21(11-13)10-12-3-4-16(23-2)15(18)7-12/h3-4,7-9,13H,5-6,10-11H2,1-2H3
InChIKeySJISRFQXZMKPTJ-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.29
Rot. Bonds6

About 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine

2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine (PubChem CID 163350527) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine
PubChem CID163350527
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine
SMILESCOc1cnc(OC2CCN(Cc3ccc(OC)c(F)c3)C2)nc1
InChIInChI=1S/C17H20FN3O3/c1-22-14-8-19-17(20-9-14)24-13-5-6-21(11-13)10-12-3-4-16(23-2)15(18)7-12/h3-4,7-9,13H,5-6,10-11H2,1-2H3
InChIKeySJISRFQXZMKPTJ-UHFFFAOYSA-N
XLogP2.29
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163346232
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701129
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692295
5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole
CID 163350350
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
CID 155974679

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine?
The IUPAC name of 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine (CID 163350527) is 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine.
What is the SMILES notation for 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine?
The canonical SMILES for 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine is COc1cnc(OC2CCN(Cc3ccc(OC)c(F)c3)C2)nc1.
What is the InChIKey of 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine?
The InChIKey is SJISRFQXZMKPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-22-14-8-19-17(20-9-14)24-13-5-6-21(11-13)10-12-3-4-16(23-2)15(18)7-12/h3-4,7-9,13H,5-6,10-11H2,1-2H3.
What are the key properties of 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine?
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine has a molecular weight of 333.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine is sourced from PubChem (CID 163350527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).