5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine

C17H16Cl2F3N5O2 — CID 171572995

IUPAC5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine
SMILESNCCOc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C17H16Cl2F3N5O2/c18-14-13(28-6-4-23)15(27-16(19)26-14)24-5-3-9-8-25-12-7-10(1-2-11(9)12)29-17(20,21)22/h1-2,7-8,25H,3-6,23H2,(H,24,26,27)
InChIKeyAFCBZMLVYBYFOA-UHFFFAOYSA-N
MW450.25 g/mol
LogP4.16
Rot. Bonds8

About 5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine

5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine (PubChem CID 171572995) has the molecular formula C17H16Cl2F3N5O2 and a molecular weight of 450.25 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine
PubChem CID171572995
Molecular FormulaC17H16Cl2F3N5O2
Molecular Weight450.25 g/mol
Exact Mass449.06
IUPAC Name5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine
SMILESNCCOc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C17H16Cl2F3N5O2/c18-14-13(28-6-4-23)15(27-16(19)26-14)24-5-3-9-8-25-12-7-10(1-2-11(9)12)29-17(20,21)22/h1-2,7-8,25H,3-6,23H2,(H,24,26,27)
InChIKeyAFCBZMLVYBYFOA-UHFFFAOYSA-N
XLogP4.16
TPSA98.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.25
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572982
2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine
CID 34176010
5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572985
2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine
CID 171573132
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
5-(2-aminoethoxy)-2,6-dichloro-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572992
N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine
CID 133277622
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine
CID 133360584
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
CID 171573043
(7R)-2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7-(methoxymethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
CID 171572975
2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine
CID 146598277

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine (CID 171572995) is 5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine is NCCOc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2cc(OC(F)(F)F)ccc12.
What is the InChIKey of 5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine?
The InChIKey is AFCBZMLVYBYFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F3N5O2/c18-14-13(28-6-4-23)15(27-16(19)26-14)24-5-3-9-8-25-12-7-10(1-2-11(9)12)29-17(20,21)22/h1-2,7-8,25H,3-6,23H2,(H,24,26,27).
What are the key properties of 5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine?
5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine has a molecular weight of 450.25 g/mol, XLogP of 4.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 171572995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).