2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine

C16H15Cl2FN4O2 — CID 171573132

IUPAC2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine
SMILESNCCOc1c(Cl)nc(Cl)nc1OCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H15Cl2FN4O2/c17-14-13(24-6-4-20)15(23-16(18)22-14)25-5-3-9-8-21-12-7-10(19)1-2-11(9)12/h1-2,7-8,21H,3-6,20H2
InChIKeyAVAJMNLCXASAQX-UHFFFAOYSA-N
MW385.23 g/mol
LogP3.36
Rot. Bonds7

About 2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine

2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine (PubChem CID 171573132) has the molecular formula C16H15Cl2FN4O2 and a molecular weight of 385.23 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine.

Molecular Properties

Compound Name2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine
PubChem CID171573132
Molecular FormulaC16H15Cl2FN4O2
Molecular Weight385.23 g/mol
Exact Mass384.06
IUPAC Name2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine
SMILESNCCOc1c(Cl)nc(Cl)nc1OCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H15Cl2FN4O2/c17-14-13(24-6-4-20)15(23-16(18)22-14)25-5-3-9-8-21-12-7-10(19)1-2-11(9)12/h1-2,7-8,21H,3-6,20H2
InChIKeyAVAJMNLCXASAQX-UHFFFAOYSA-N
XLogP3.36
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine
CID 171572995
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572982
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine
CID 133360584
6-fluoro-3-(3-methoxypropyl)-1H-indole
CID 91114487
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
3-(aminomethyl)-7-fluoro-1H-quinolin-4-one
CID 82504898
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate
CID 175327400
6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
CID 144581327
[3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine
CID 117178283
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

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine?
The IUPAC name of 2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine (CID 171573132) is 2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine.
What is the SMILES notation for 2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine?
The canonical SMILES for 2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine is NCCOc1c(Cl)nc(Cl)nc1OCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine?
The InChIKey is AVAJMNLCXASAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN4O2/c17-14-13(24-6-4-20)15(23-16(18)22-14)25-5-3-9-8-21-12-7-10(19)1-2-11(9)12/h1-2,7-8,21H,3-6,20H2.
What are the key properties of 2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine?
2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine has a molecular weight of 385.23 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine is sourced from PubChem (CID 171573132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).