2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine

C18H20FN5O2 — CID 133330365

IUPAC2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine
SMILESCOCc1cc(N2CC(C)OC(c3ccc(F)cc3)C2)n2ncnc2n1
InChIInChI=1S/C18H20FN5O2/c1-12-8-23(9-16(26-12)13-3-5-14(19)6-4-13)17-7-15(10-25-2)22-18-20-11-21-24(17)18/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyBWGKVUGWZUQKND-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.38
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine

2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine (PubChem CID 133330365) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine
PubChem CID133330365
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine
SMILESCOCc1cc(N2CC(C)OC(c3ccc(F)cc3)C2)n2ncnc2n1
InChIInChI=1S/C18H20FN5O2/c1-12-8-23(9-16(26-12)13-3-5-14(19)6-4-13)17-7-15(10-25-2)22-18-20-11-21-24(17)18/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyBWGKVUGWZUQKND-UHFFFAOYSA-N
XLogP2.38
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 133347018
5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126900419
5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126934173
7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133311255
7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274031
5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50820542
5-[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]pyridin-2-amine
CID 133304099
5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133422121
N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133346764
7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 133273595
4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine
CID 133330542
7-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126947093

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine?
The IUPAC name of 2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine (CID 133330365) is 2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine is COCc1cc(N2CC(C)OC(c3ccc(F)cc3)C2)n2ncnc2n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine?
The InChIKey is BWGKVUGWZUQKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-12-8-23(9-16(26-12)13-3-5-14(19)6-4-13)17-7-15(10-25-2)22-18-20-11-21-24(17)18/h3-7,11-12,16H,8-10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine?
2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine has a molecular weight of 357.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine is sourced from PubChem (CID 133330365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).