N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine

C25H22N6 — CID 69184531

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine
SMILESCc1ccnc(-c2nc(NCCc3c[nH]c4ccccc34)cc(-c3cccnc3)n2)c1
InChIInChI=1S/C25H22N6/c1-17-8-11-27-23(13-17)25-30-22(19-5-4-10-26-15-19)14-24(31-25)28-12-9-18-16-29-21-7-3-2-6-20(18)21/h2-8,10-11,13-16,29H,9,12H2,1H3,(H,28,30,31)
InChIKeyANJDMFLNVSUIHO-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.04
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine

N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 69184531) has the molecular formula C25H22N6 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID69184531
Molecular FormulaC25H22N6
Molecular Weight406.49 g/mol
Exact Mass406.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine
SMILESCc1ccnc(-c2nc(NCCc3c[nH]c4ccccc34)cc(-c3cccnc3)n2)c1
InChIInChI=1S/C25H22N6/c1-17-8-11-27-23(13-17)25-30-22(19-5-4-10-26-15-19)14-24(31-25)28-12-9-18-16-29-21-7-3-2-6-20(18)21/h2-8,10-11,13-16,29H,9,12H2,1H3,(H,28,30,31)
InChIKeyANJDMFLNVSUIHO-UHFFFAOYSA-N
XLogP5.04
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
CID 5059317
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
CID 24862955
3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 69180620
6-[5-(1-benzothiophen-2-yl)-3-pyridinyl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidin-4-amine
CID 5016812
2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171814
4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932553
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880267
N-[2-(1H-indol-3-yl)ethyl]-5-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142460354
2-N-(2,5-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896700
2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109173732
4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112922394
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935022

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine (CID 69184531) is N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine is Cc1ccnc(-c2nc(NCCc3c[nH]c4ccccc34)cc(-c3cccnc3)n2)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is ANJDMFLNVSUIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6/c1-17-8-11-27-23(13-17)25-30-22(19-5-4-10-26-15-19)14-24(31-25)28-12-9-18-16-29-21-7-3-2-6-20(18)21/h2-8,10-11,13-16,29H,9,12H2,1H3,(H,28,30,31).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine?
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 406.49 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 69184531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).