3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole

C14H12ClN3 — CID 116897369

IUPAC3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole
SMILESCc1cc(-c2cn(C)c3ccccc23)nc(Cl)n1
InChIInChI=1S/C14H12ClN3/c1-9-7-12(17-14(15)16-9)11-8-18(2)13-6-4-3-5-10(11)13/h3-8H,1-2H3
InChIKeyQKCDBTXKQQRUOM-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.60
Rot. Bonds1

About 3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole

3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole (PubChem CID 116897369) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole.

Molecular Properties

Compound Name3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole
PubChem CID116897369
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole
SMILESCc1cc(-c2cn(C)c3ccccc23)nc(Cl)n1
InChIInChI=1S/C14H12ClN3/c1-9-7-12(17-14(15)16-9)11-8-18(2)13-6-4-3-5-10(11)13/h3-8H,1-2H3
InChIKeyQKCDBTXKQQRUOM-UHFFFAOYSA-N
XLogP3.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole?
The IUPAC name of 3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole (CID 116897369) is 3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole.
What is the SMILES notation for 3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole?
The canonical SMILES for 3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole is Cc1cc(-c2cn(C)c3ccccc23)nc(Cl)n1.
What is the InChIKey of 3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole?
The InChIKey is QKCDBTXKQQRUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-9-7-12(17-14(15)16-9)11-8-18(2)13-6-4-3-5-10(11)13/h3-8H,1-2H3.
What are the key properties of 3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole?
3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole has a molecular weight of 257.72 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole is sourced from PubChem (CID 116897369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).