4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde

C19H22N6O — CID 112858233

IUPAC4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cc(NCCc3c[nH]c4ccccc34)ncn2)CC1
InChIInChI=1S/C19H22N6O/c26-14-24-7-9-25(10-8-24)19-11-18(22-13-23-19)20-6-5-15-12-21-17-4-2-1-3-16(15)17/h1-4,11-14,21H,5-10H2,(H,20,22,23)
InChIKeyHKEKDADSXUMZJY-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.89
Rot. Bonds6

About 4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde

4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde (PubChem CID 112858233) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
PubChem CID112858233
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cc(NCCc3c[nH]c4ccccc34)ncn2)CC1
InChIInChI=1S/C19H22N6O/c26-14-24-7-9-25(10-8-24)19-11-18(22-13-23-19)20-6-5-15-12-21-17-4-2-1-3-16(15)17/h1-4,11-14,21H,5-10H2,(H,20,22,23)
InChIKeyHKEKDADSXUMZJY-UHFFFAOYSA-N
XLogP1.89
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 112862353
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
4-[4-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914675
4-[6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858266
4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535
6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109154902
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870723
4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109208888
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112856656

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde (CID 112858233) is 4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde is O=CN1CCN(c2cc(NCCc3c[nH]c4ccccc34)ncn2)CC1.
What is the InChIKey of 4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde?
The InChIKey is HKEKDADSXUMZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-14-24-7-9-25(10-8-24)19-11-18(22-13-23-19)20-6-5-15-12-21-17-4-2-1-3-16(15)17/h1-4,11-14,21H,5-10H2,(H,20,22,23).
What are the key properties of 4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde?
4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde has a molecular weight of 350.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 112858233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).