(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone

C21H26N6O — CID 109302555

IUPAC(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(NCCc3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C21H26N6O/c1-2-26-11-13-27(14-12-26)20(28)19-8-10-23-21(25-19)22-9-7-16-15-24-18-6-4-3-5-17(16)18/h3-6,8,10,15,24H,2,7,9,11-14H2,1H3,(H,22,23,25)
InChIKeyFRBRITIGNKYPQM-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.39
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone (PubChem CID 109302555) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone
PubChem CID109302555
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(NCCc3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C21H26N6O/c1-2-26-11-13-27(14-12-26)20(28)19-8-10-23-21(25-19)22-9-7-16-15-24-18-6-4-3-5-17(16)18/h3-6,8,10,15,24H,2,7,9,11-14H2,1H3,(H,22,23,25)
InChIKeyFRBRITIGNKYPQM-UHFFFAOYSA-N
XLogP2.39
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367329
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109309599
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
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109301265
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883844
2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304866
[2-(cyclopropylamino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109295535
(4-ethylpiperazin-1-yl)-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109302541
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109309620
2-N-butyl-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112883035
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-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone (CID 109302555) is (4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone is CCN1CCN(C(=O)c2ccnc(NCCc3c[nH]c4ccccc34)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone?
The InChIKey is FRBRITIGNKYPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-2-26-11-13-27(14-12-26)20(28)19-8-10-23-21(25-19)22-9-7-16-15-24-18-6-4-3-5-17(16)18/h3-6,8,10,15,24H,2,7,9,11-14H2,1H3,(H,22,23,25).
What are the key properties of (4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109302555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).