1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine

C22H29N5 — CID 72916795

IUPAC1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
SMILESCCc1cc(N2CCC(NCCc3c[nH]c4ccccc34)CC2)nc(C)n1
InChIInChI=1S/C22H29N5/c1-3-18-14-22(26-16(2)25-18)27-12-9-19(10-13-27)23-11-8-17-15-24-21-7-5-4-6-20(17)21/h4-7,14-15,19,23-24H,3,8-13H2,1-2H3
InChIKeyDKNUEAOJQVPOKF-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.63
Rot. Bonds6

About 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine

1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine (PubChem CID 72916795) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
PubChem CID72916795
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
SMILESCCc1cc(N2CCC(NCCc3c[nH]c4ccccc34)CC2)nc(C)n1
InChIInChI=1S/C22H29N5/c1-3-18-14-22(26-16(2)25-18)27-12-9-19(10-13-27)23-11-8-17-15-24-21-7-5-4-6-20(17)21/h4-7,14-15,19,23-24H,3,8-13H2,1-2H3
InChIKeyDKNUEAOJQVPOKF-UHFFFAOYSA-N
XLogP3.63
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870723
N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63420547
N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 46855458
N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-(3-methoxyphenyl)piperidin-4-amine
CID 133460647
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910901
N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide
CID 42431865
N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363292
5-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazin-3-amine
CID 112955841
N-[2-(6-methyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82497315
N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43078792
2-(1H-indol-3-yl)-1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122348592

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine (CID 72916795) is 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine is CCc1cc(N2CCC(NCCc3c[nH]c4ccccc34)CC2)nc(C)n1.
What is the InChIKey of 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is DKNUEAOJQVPOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-3-18-14-22(26-16(2)25-18)27-12-9-19(10-13-27)23-11-8-17-15-24-21-7-5-4-6-20(17)21/h4-7,14-15,19,23-24H,3,8-13H2,1-2H3.
What are the key properties of 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine?
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 363.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 72916795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).