4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine

C20H17FN4O — CID 56553608

IUPAC4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(NCCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C20H17FN4O/c21-15-5-7-16(8-6-15)26-19-10-12-23-20(25-19)22-11-9-14-13-24-18-4-2-1-3-17(14)18/h1-8,10,12-13,24H,9,11H2,(H,22,23,25)
InChIKeyJVKKDZUPKPMBGI-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.54
Rot. Bonds6

About 4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine

4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 56553608) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID56553608
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(NCCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C20H17FN4O/c21-15-5-7-16(8-6-15)26-19-10-12-23-20(25-19)22-11-9-14-13-24-18-4-2-1-3-17(14)18/h1-8,10,12-13,24H,9,11H2,(H,22,23,25)
InChIKeyJVKKDZUPKPMBGI-UHFFFAOYSA-N
XLogP4.54
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 56553691
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895017
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894903
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883844
2-N-butyl-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112883035
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886032
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112896684
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893147
2-N-(3-fluorophenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896748
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895241
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893305
N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 59564771

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine (CID 56553608) is 4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine is Fc1ccc(Oc2ccnc(NCCc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is JVKKDZUPKPMBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-15-5-7-16(8-6-15)26-19-10-12-23-20(25-19)22-11-9-14-13-24-18-4-2-1-3-17(14)18/h1-8,10,12-13,24H,9,11H2,(H,22,23,25).
What are the key properties of 4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine?
4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 348.38 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 56553608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).