1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole

C17H18ClN3 — CID 80974333

IUPAC1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
SMILESCc1c(Cl)nc(C2CC2)nc1N1c2ccccc2CC1C
InChIInChI=1S/C17H18ClN3/c1-10-9-13-5-3-4-6-14(13)21(10)17-11(2)15(18)19-16(20-17)12-7-8-12/h3-6,10,12H,7-9H2,1-2H3
InChIKeyPOGGEYWKURIKGB-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.40
Rot. Bonds2

About 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole

1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole (PubChem CID 80974333) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
PubChem CID80974333
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
SMILESCc1c(Cl)nc(C2CC2)nc1N1c2ccccc2CC1C
InChIInChI=1S/C17H18ClN3/c1-10-9-13-5-3-4-6-14(13)21(10)17-11(2)15(18)19-16(20-17)12-7-8-12/h3-6,10,12H,7-9H2,1-2H3
InChIKeyPOGGEYWKURIKGB-UHFFFAOYSA-N
XLogP4.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole
CID 81037118
2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
CID 102749863
1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 79075954
1-(6-chloro-5-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 55229861
2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-imidazol-5-amine
CID 55012468
3-(2-methyl-2,3-dihydroindol-1-yl)quinoxalin-2-amine
CID 102985070
4-chloro-N,N-dimethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 62869999
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carbaldehyde
CID 66336040
[4,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 61252422
4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
CID 80687390
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 80754131
5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918247

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole (CID 80974333) is 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole is Cc1c(Cl)nc(C2CC2)nc1N1c2ccccc2CC1C.
What is the InChIKey of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole?
The InChIKey is POGGEYWKURIKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-10-9-13-5-3-4-6-14(13)21(10)17-11(2)15(18)19-16(20-17)12-7-8-12/h3-6,10,12H,7-9H2,1-2H3.
What are the key properties of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole?
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole has a molecular weight of 299.81 g/mol, XLogP of 4.40, 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-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 80974333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).