N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H21FN6O — CID 17495949

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC(c2ccc(F)cc2)N2CCOCC2)n2ncnc2n1
InChIInChI=1S/C18H21FN6O/c1-13-10-17(25-18(23-13)21-12-22-25)20-11-16(24-6-8-26-9-7-24)14-2-4-15(19)5-3-14/h2-5,10,12,16,20H,6-9,11H2,1H3
InChIKeyGTBMZJYNRXEVSK-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 17495949) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID17495949
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC(c2ccc(F)cc2)N2CCOCC2)n2ncnc2n1
InChIInChI=1S/C18H21FN6O/c1-13-10-17(25-18(23-13)21-12-22-25)20-11-16(24-6-8-26-9-7-24)14-2-4-15(19)5-3-14/h2-5,10,12,16,20H,6-9,11H2,1H3
InChIKeyGTBMZJYNRXEVSK-UHFFFAOYSA-N
XLogP2.06
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18125403
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60506213
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191352
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylquinolin-4-amine
CID 71899447
5-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 167972006
1-(3,4-difluorophenyl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 51079447
N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 138988417
5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 113336552
6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
CID 78901218
4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine
CID 72913524
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
CID 94145816

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 17495949) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC(c2ccc(F)cc2)N2CCOCC2)n2ncnc2n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GTBMZJYNRXEVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-13-10-17(25-18(23-13)21-12-22-25)20-11-16(24-6-8-26-9-7-24)14-2-4-15(19)5-3-14/h2-5,10,12,16,20H,6-9,11H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 356.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 17495949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).