N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine

C22H23ClN4 — CID 112926547

About N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine

N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (PubChem CID 112926547) has the molecular formula C22H23ClN4 and a molecular weight of 378.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
• PubChem CID: 112926547
• Molecular Formula: C22H23ClN4
• Molecular Weight: 378.91 g/mol
• Exact Mass: 378.16
• IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
• SMILES: Cc1cc(N2c3ccccc3CC2C)nc(NCCc2cccc(Cl)c2)n1
• InChI: InChI=1S/C22H23ClN4/c1-15-12-21(27-16(2)13-18-7-3-4-9-20(18)27)26-22(25-15)24-11-10-17-6-5-8-19(23)14-17/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,24,25,26)
• InChIKey: YWPHFKZIGRCWLW-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 41.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.91
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?

The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (CID 112926547) is N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.

What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?

The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is Cc1cc(N2c3ccccc3CC2C)nc(NCCc2cccc(Cl)c2)n1.

What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?

The InChIKey is YWPHFKZIGRCWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4/c1-15-12-21(27-16(2)13-18-7-3-4-9-20(18)27)26-22(25-15)24-11-10-17-6-5-8-19(23)14-17/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,24,25,26).

What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?

N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine has a molecular weight of 378.91 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112926547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).