1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole

C19H16ClN3 — CID 66493775

IUPAC1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1nccc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H16ClN3/c1-13-12-14-6-2-5-9-18(14)23(13)19-21-11-10-17(22-19)15-7-3-4-8-16(15)20/h2-11,13H,12H2,1H3
InChIKeyXNIMUNVSOCXFTP-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.88
Rot. Bonds2

About 1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole

1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole (PubChem CID 66493775) has the molecular formula C19H16ClN3 and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole
PubChem CID66493775
Molecular FormulaC19H16ClN3
Molecular Weight321.81 g/mol
Exact Mass321.10
IUPAC Name1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1nccc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H16ClN3/c1-13-12-14-6-2-5-9-18(14)23(13)19-21-11-10-17(22-19)15-7-3-4-8-16(15)20/h2-11,13H,12H2,1H3
InChIKeyXNIMUNVSOCXFTP-UHFFFAOYSA-N
XLogP4.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole
CID 66493749
2-(2-methyl-2,3-dihydroindol-1-yl)-N,N-dipropylpyrimidin-4-amine
CID 112901248
2-methyl-1-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 112898809
4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499157
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112906637
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112886156
8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112897459
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 80754131
2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112899050
2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole
CID 66494093
N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109316683
4-chloro-N,N-dimethyl-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 62869999

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole (CID 66493775) is 1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1c1nccc(-c2ccccc2Cl)n1.
What is the InChIKey of 1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole?
The InChIKey is XNIMUNVSOCXFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3/c1-13-12-14-6-2-5-9-18(14)23(13)19-21-11-10-17(22-19)15-7-3-4-8-16(15)20/h2-11,13H,12H2,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole?
1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole has a molecular weight of 321.81 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 66493775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).