N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine

C21H21ClN4 — CID 112926469

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NCCc2cccc(Cl)c2)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H21ClN4/c1-15-13-20(23-11-9-16-5-4-7-18(22)14-16)25-21(24-15)26-12-10-17-6-2-3-8-19(17)26/h2-8,13-14H,9-12H2,1H3,(H,23,24,25)
InChIKeyJVXPTTUEPHXNRB-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.79
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine

N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 112926469) has the molecular formula C21H21ClN4 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
PubChem CID112926469
Molecular FormulaC21H21ClN4
Molecular Weight364.88 g/mol
Exact Mass364.15
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NCCc2cccc(Cl)c2)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H21ClN4/c1-15-13-20(23-11-9-16-5-4-7-18(22)14-16)25-21(24-15)26-12-10-17-6-2-3-8-19(17)26/h2-8,13-14H,9-12H2,1H3,(H,23,24,25)
InChIKeyJVXPTTUEPHXNRB-UHFFFAOYSA-N
XLogP4.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
CID 112927774
1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915022
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112897064
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913500
2-N-benzyl-4-N-[2-(3-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112917093
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888142
2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924756
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918466
N-[2-(3-chlorophenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112961100
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874212
2-N-(4-chlorophenyl)-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112926476
N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78845412

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine (CID 112926469) is N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine is Cc1cc(NCCc2cccc(Cl)c2)nc(N2CCc3ccccc32)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is JVXPTTUEPHXNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4/c1-15-13-20(23-11-9-16-5-4-7-18(22)14-16)25-21(24-15)26-12-10-17-6-2-3-8-19(17)26/h2-8,13-14H,9-12H2,1H3,(H,23,24,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine?
N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 364.88 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112926469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).