[4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine

C20H15F3N4O — CID 141271369

IUPAC[4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine
SMILESNCc1nccc(Oc2ccc3c(ccn3-c3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)14-2-1-3-15(11-14)27-9-7-13-10-16(4-5-17(13)27)28-19-6-8-25-18(12-24)26-19/h1-11H,12,24H2
InChIKeyXZOJOSOWCXJJDU-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.69
Rot. Bonds4

About [4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine

[4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine (PubChem CID 141271369) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is [4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine
PubChem CID141271369
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name[4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine
SMILESNCc1nccc(Oc2ccc3c(ccn3-c3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)14-2-1-3-15(11-14)27-9-7-13-10-16(4-5-17(13)27)28-19-6-8-25-18(12-24)26-19/h1-11H,12,24H2
InChIKeyXZOJOSOWCXJJDU-UHFFFAOYSA-N
XLogP4.69
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[2-(propan-2-ylamino)ethyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394583
1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
6-[1-[3-methoxy-5-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidine-4-carbaldehyde
CID 141271372
5-[(2-amino-4-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 70877308
2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine
CID 18974771
1-(3-fluorophenyl)-5-phenylmethoxyindole
CID 177163801
(1-phenylindol-5-yl)methanamine
CID 171652016
N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]pyridine-2-carboxamide
CID 162649978
1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one
CID 142666921
2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 18974774
2-[[4-[1-[C-methyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]indol-5-yl]oxy-2-pyridinyl]methylamino]ethanol
CID 90983084
5-[6-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394305

Frequently Asked Questions

What is the IUPAC name of [4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine?
The IUPAC name of [4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine (CID 141271369) is [4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine?
The canonical SMILES for [4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine is NCc1nccc(Oc2ccc3c(ccn3-c3cccc(C(F)(F)F)c3)c2)n1.
What is the InChIKey of [4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine?
The InChIKey is XZOJOSOWCXJJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c21-20(22,23)14-2-1-3-15(11-14)27-9-7-13-10-16(4-5-17(13)27)28-19-6-8-25-18(12-24)26-19/h1-11H,12,24H2.
What are the key properties of [4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine?
[4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine has a molecular weight of 384.36 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[3-(trifluoromethyl)phenyl]indol-5-yl]oxypyrimidin-2-yl]methanamine is sourced from PubChem (CID 141271369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).