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

C20H19N5 — CID 72879530

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCc1[nH]c2ccccc2c1CCNc1nccc(-c2cccnc2)n1
InChIInChI=1S/C20H19N5/c1-14-16(17-6-2-3-7-19(17)24-14)8-11-22-20-23-12-9-18(25-20)15-5-4-10-21-13-15/h2-7,9-10,12-13,24H,8,11H2,1H3,(H,22,23,25)
InChIKeyQIMAGHHFUKZHHX-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.98
Rot. Bonds5

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

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 72879530) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID72879530
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCc1[nH]c2ccccc2c1CCNc1nccc(-c2cccnc2)n1
InChIInChI=1S/C20H19N5/c1-14-16(17-6-2-3-7-19(17)24-14)8-11-22-20-23-12-9-18(25-20)15-5-4-10-21-13-15/h2-7,9-10,12-13,24H,8,11H2,1H3,(H,22,23,25)
InChIKeyQIMAGHHFUKZHHX-UHFFFAOYSA-N
XLogP3.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-piperazin-1-ylpyrimidin-2-amine
CID 166312968
2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 2049800
4-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]benzoic acid
CID 174551670
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
4-(2-methyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 118741337
[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine
CID 116904148
N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355
2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 56738399
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 25211077
1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one
CID 72894729
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 72879530) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine is Cc1[nH]c2ccccc2c1CCNc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is QIMAGHHFUKZHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-14-16(17-6-2-3-7-19(17)24-14)8-11-22-20-23-12-9-18(25-20)15-5-4-10-21-13-15/h2-7,9-10,12-13,24H,8,11H2,1H3,(H,22,23,25).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 329.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 72879530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).