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

C14H14ClN3 — CID 79075954

IUPAC1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
SMILESCc1cnc(Cl)nc1N1c2ccccc2CC1C
InChIInChI=1S/C14H14ClN3/c1-9-8-16-14(15)17-13(9)18-10(2)7-11-5-3-4-6-12(11)18/h3-6,8,10H,7H2,1-2H3
InChIKeyUTDBJSVUDQMFNS-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.52
Rot. Bonds1

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

1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole (PubChem CID 79075954) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
PubChem CID79075954
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
SMILESCc1cnc(Cl)nc1N1c2ccccc2CC1C
InChIInChI=1S/C14H14ClN3/c1-9-8-16-14(15)17-13(9)18-10(2)7-11-5-3-4-6-12(11)18/h3-6,8,10H,7H2,1-2H3
InChIKeyUTDBJSVUDQMFNS-UHFFFAOYSA-N
XLogP3.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.52
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
[4,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 61252422
2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
CID 102749863
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80974333
5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
CID 80631271
2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-imidazol-5-amine
CID 55012468
4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 79910439
3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
CID 62685726
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 80754131
1-(6-chloro-5-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 55229861
1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 114215376
3-(2-methyl-2,3-dihydroindol-1-yl)quinoxalin-2-amine
CID 102985070

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole (CID 79075954) is 1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole is Cc1cnc(Cl)nc1N1c2ccccc2CC1C.
What is the InChIKey of 1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole?
The InChIKey is UTDBJSVUDQMFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-9-8-16-14(15)17-13(9)18-10(2)7-11-5-3-4-6-12(11)18/h3-6,8,10H,7H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole?
1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole has a molecular weight of 259.74 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 79075954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).