N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine

C18H21N5 — CID 112883844

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESc1ccc2c(CCNc3nccc(N4CCCC4)n3)c[nH]c2c1
InChIInChI=1S/C18H21N5/c1-2-6-16-15(5-1)14(13-21-16)7-9-19-18-20-10-8-17(22-18)23-11-3-4-12-23/h1-2,5-6,8,10,13,21H,3-4,7,9,11-12H2,(H,19,20,22)
InChIKeyUQJSGZKWDCNPLA-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.21
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112883844) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112883844
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESc1ccc2c(CCNc3nccc(N4CCCC4)n3)c[nH]c2c1
InChIInChI=1S/C18H21N5/c1-2-6-16-15(5-1)14(13-21-16)7-9-19-18-20-10-8-17(22-18)23-11-3-4-12-23/h1-2,5-6,8,10,13,21H,3-4,7,9,11-12H2,(H,19,20,22)
InChIKeyUQJSGZKWDCNPLA-UHFFFAOYSA-N
XLogP3.21
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
CID 112896769
5-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazin-3-amine
CID 112955841
N-[2-(1H-indol-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884031
N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 46855458
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887471
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887299
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109309599
2-N-butyl-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112883035
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109295766
N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109303774
(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone
CID 109302555
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112896684

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 112883844) is N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine is c1ccc2c(CCNc3nccc(N4CCCC4)n3)c[nH]c2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is UQJSGZKWDCNPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-6-16-15(5-1)14(13-21-16)7-9-19-18-20-10-8-17(22-18)23-11-3-4-12-23/h1-2,5-6,8,10,13,21H,3-4,7,9,11-12H2,(H,19,20,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112883844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).