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

C19H24N6 — CID 166312968

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine
SMILESCc1[nH]c2ccccc2c1CCNc1nccc(N2CCNCC2)n1
InChIInChI=1S/C19H24N6/c1-14-15(16-4-2-3-5-17(16)23-14)6-8-21-19-22-9-7-18(24-19)25-12-10-20-11-13-25/h2-5,7,9,20,23H,6,8,10-13H2,1H3,(H,21,22,24)
InChIKeyAJVLKOLIJRLCCY-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.33
Rot. Bonds5

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

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine (PubChem CID 166312968) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine
PubChem CID166312968
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine
SMILESCc1[nH]c2ccccc2c1CCNc1nccc(N2CCNCC2)n1
InChIInChI=1S/C19H24N6/c1-14-15(16-4-2-3-5-17(16)23-14)6-8-21-19-22-9-7-18(24-19)25-12-10-20-11-13-25/h2-5,7,9,20,23H,6,8,10-13H2,1H3,(H,21,22,24)
InChIKeyAJVLKOLIJRLCCY-UHFFFAOYSA-N
XLogP2.33
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 72879530
N-(2-methoxyethyl)-4-piperazin-1-ylpyrimidin-2-amine
CID 67087546
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883844
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80838050
4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 118741337
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
CID 112896769
N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886388
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine (CID 166312968) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine is Cc1[nH]c2ccccc2c1CCNc1nccc(N2CCNCC2)n1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is AJVLKOLIJRLCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-14-15(16-4-2-3-5-17(16)23-14)6-8-21-19-22-9-7-18(24-19)25-12-10-20-11-13-25/h2-5,7,9,20,23H,6,8,10-13H2,1H3,(H,21,22,24).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 336.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 166312968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).