N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C21H27N5 — CID 112922389

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(NCCc2c[nH]c3ccccc23)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C21H27N5/c1-15-6-5-11-26(14-15)21-24-16(2)12-20(25-21)22-10-9-17-13-23-19-8-4-3-7-18(17)19/h3-4,7-8,12-13,15,23H,5-6,9-11,14H2,1-2H3,(H,22,24,25)
InChIKeyXFBZFVRGGFXYCN-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.16
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112922389) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112922389
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(NCCc2c[nH]c3ccccc23)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C21H27N5/c1-15-6-5-11-26(14-15)21-24-16(2)12-20(25-21)22-10-9-17-13-23-19-8-4-3-7-18(17)19/h3-4,7-8,12-13,15,23H,5-6,9-11,14H2,1-2H3,(H,22,24,25)
InChIKeyXFBZFVRGGFXYCN-UHFFFAOYSA-N
XLogP4.16
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910901
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112920951
4-[4-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914675
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112922431
N',N'-dimethyl-N-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 112912830
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112918204
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112911109
4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 73254465
N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 93052897
N-[2-(1H-indol-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884031
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112922446

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112922389) is N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1cc(NCCc2c[nH]c3ccccc23)nc(N2CCCC(C)C2)n1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is XFBZFVRGGFXYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-15-6-5-11-26(14-15)21-24-16(2)12-20(25-21)22-10-9-17-13-23-19-8-4-3-7-18(17)19/h3-4,7-8,12-13,15,23H,5-6,9-11,14H2,1-2H3,(H,22,24,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 349.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112922389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).