N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine

C24H34N8 — CID 46855458

IUPACN-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(N3CCN(C)CC3)nc(NCCc3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C24H34N8/c1-29-9-13-31(14-10-29)22-17-23(32-15-11-30(2)12-16-32)28-24(27-22)25-8-7-19-18-26-21-6-4-3-5-20(19)21/h3-6,17-18,26H,7-16H2,1-2H3,(H,25,27,28)
InChIKeyJPJVAPHGRQNQSD-UHFFFAOYSA-N
MW434.59 g/mol
LogP2.12
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine

N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 46855458) has the molecular formula C24H34N8 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID46855458
Molecular FormulaC24H34N8
Molecular Weight434.59 g/mol
Exact Mass434.29
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(N3CCN(C)CC3)nc(NCCc3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C24H34N8/c1-29-9-13-31(14-10-29)22-17-23(32-15-11-30(2)12-16-32)28-24(27-22)25-8-7-19-18-26-21-6-4-3-5-20(19)21/h3-6,17-18,26H,7-16H2,1-2H3,(H,25,27,28)
InChIKeyJPJVAPHGRQNQSD-UHFFFAOYSA-N
XLogP2.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883844
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]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116156
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
CID 112896769
4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858233
N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide
CID 22115646
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 74230811
4-[4-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914675
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine
CID 110997307
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide
CID 21187563

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 46855458) is N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(N3CCN(C)CC3)nc(NCCc3c[nH]c4ccccc34)n2)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is JPJVAPHGRQNQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8/c1-29-9-13-31(14-10-29)22-17-23(32-15-11-30(2)12-16-32)28-24(27-22)25-8-7-19-18-26-21-6-4-3-5-20(19)21/h3-6,17-18,26H,7-16H2,1-2H3,(H,25,27,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine?
N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 434.59 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 46855458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).