1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole

C14H14ClN3 — CID 114215376

IUPAC1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1ncncc1CCl
InChIInChI=1S/C14H14ClN3/c1-10-6-11-4-2-3-5-13(11)18(10)14-12(7-15)8-16-9-17-14/h2-5,8-10H,6-7H2,1H3
InChIKeyDPBQURSSHKFBQK-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.30
Rot. Bonds2

About 1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole

1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole (PubChem CID 114215376) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole
PubChem CID114215376
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1ncncc1CCl
InChIInChI=1S/C14H14ClN3/c1-10-6-11-4-2-3-5-13(11)18(10)14-12(7-15)8-16-9-17-14/h2-5,8-10H,6-7H2,1H3
InChIKeyDPBQURSSHKFBQK-UHFFFAOYSA-N
XLogP3.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 79910439
1-(6-chloro-5-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 55229861
1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 79075954
1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole
CID 63540213
N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 80753978
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carbaldehyde
CID 66336040
1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole
CID 61254888
N-methyl-1-[4-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanamine
CID 81248470
N-[[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286314
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
4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
CID 80687390

Frequently Asked Questions

What is the IUPAC name of 1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole (CID 114215376) is 1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1c1ncncc1CCl.
What is the InChIKey of 1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole?
The InChIKey is DPBQURSSHKFBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-10-6-11-4-2-3-5-13(11)18(10)14-12(7-15)8-16-9-17-14/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole?
1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole has a molecular weight of 259.74 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 114215376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).