1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole

C15H16ClN3 — CID 80943520

IUPAC1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
SMILESCCc1nc(Cl)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C15H16ClN3/c1-3-14-17-13(16)9-15(18-14)19-10(2)8-11-6-4-5-7-12(11)19/h4-7,9-10H,3,8H2,1-2H3
InChIKeyMCGJOTRPRAOVGO-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.78
Rot. Bonds2

About 1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole

1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole (PubChem CID 80943520) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
PubChem CID80943520
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
SMILESCCc1nc(Cl)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C15H16ClN3/c1-3-14-17-13(16)9-15(18-14)19-10(2)8-11-6-4-5-7-12(11)19/h4-7,9-10H,3,8H2,1-2H3
InChIKeyMCGJOTRPRAOVGO-UHFFFAOYSA-N
XLogP3.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline
CID 80935828
1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
CID 113378830
3-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80936724
1-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
CID 55080188
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-propylpyrimidin-2-amine
CID 80756884
2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
CID 102749863
1-(6-chloro-5-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 55229861
4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
CID 80687390
1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 112876835
4-chloro-N,N-dimethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 62869999
N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridin-3-amine
CID 82104336
N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80753740

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole (CID 80943520) is 1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole is CCc1nc(Cl)cc(N2c3ccccc3CC2C)n1.
What is the InChIKey of 1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole?
The InChIKey is MCGJOTRPRAOVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-3-14-17-13(16)9-15(18-14)19-10(2)8-11-6-4-5-7-12(11)19/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole?
1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole has a molecular weight of 273.77 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 80943520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).