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

C16H18ClN3 — CID 62096844

IUPAC5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole
SMILESCCc1c(C)nc(-c2ccc3c(c2)CCN3C)nc1Cl
InChIInChI=1S/C16H18ClN3/c1-4-13-10(2)18-16(19-15(13)17)12-5-6-14-11(9-12)7-8-20(14)3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyNCZBKSQRONQVJY-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.66
Rot. Bonds2

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

5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole (PubChem CID 62096844) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole
PubChem CID62096844
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole
SMILESCCc1c(C)nc(-c2ccc3c(c2)CCN3C)nc1Cl
InChIInChI=1S/C16H18ClN3/c1-4-13-10(2)18-16(19-15(13)17)12-5-6-14-11(9-12)7-8-20(14)3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyNCZBKSQRONQVJY-UHFFFAOYSA-N
XLogP3.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole?
The IUPAC name of 5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole (CID 62096844) is 5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole?
The canonical SMILES for 5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole is CCc1c(C)nc(-c2ccc3c(c2)CCN3C)nc1Cl.
What is the InChIKey of 5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole?
The InChIKey is NCZBKSQRONQVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-4-13-10(2)18-16(19-15(13)17)12-5-6-14-11(9-12)7-8-20(14)3/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole?
5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole has a molecular weight of 287.79 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 62096844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).