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

C21H27N5 — CID 112910901

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(NCCc2c[nH]c3ccccc23)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C21H27N5/c1-15-8-11-26(12-9-15)21-24-16(2)13-20(25-21)22-10-7-17-14-23-19-6-4-3-5-18(17)19/h3-6,13-15,23H,7-12H2,1-2H3,(H,22,24,25)
InChIKeyDVBYYIQHBJVKEM-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.16
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112910901) 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-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112910901
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(NCCc2c[nH]c3ccccc23)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C21H27N5/c1-15-8-11-26(12-9-15)21-24-16(2)13-20(25-21)22-10-7-17-14-23-19-6-4-3-5-18(17)19/h3-6,13-15,23H,7-12H2,1-2H3,(H,22,24,25)
InChIKeyDVBYYIQHBJVKEM-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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112922389
4-[4-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914675
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 112910888
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112922431
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-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870723
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
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910881
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910903
4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112922394

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112910901) is N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1cc(NCCc2c[nH]c3ccccc23)nc(N2CCC(C)CC2)n1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is DVBYYIQHBJVKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-15-8-11-26(12-9-15)21-24-16(2)13-20(25-21)22-10-7-17-14-23-19-6-4-3-5-18(17)19/h3-6,13-15,23H,7-12H2,1-2H3,(H,22,24,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(4-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-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112910901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).