2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride

C23H22ClF3N6O — CID 155553139

About 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride

2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 155553139) has the molecular formula C23H22ClF3N6O and a molecular weight of 490.92 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride
• PubChem CID: 155553139
• Molecular Formula: C23H22ClF3N6O
• Molecular Weight: 490.92 g/mol
• Exact Mass: 490.15
• IUPAC Name: 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride
• SMILES: Cc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C(F)(F)F)[nH]c4ccccc34)cn2)c1.Cl
• InChI: InChI=1S/C23H21F3N6O.ClH/c1-13-9-14(2)30-19(10-13)32-22-28-11-15(12-29-22)21(33)27-8-7-17-16-5-3-4-6-18(16)31-20(17)23(24,25)26;/h3-6,9-12,31H,7-8H2,1-2H3,(H,27,33)(H,28,29,30,32);1H
• InChIKey: QYJOUPUEBXXMQC-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 95.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.92
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride?

The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride (CID 155553139) is 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride.

What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride?

The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride is Cc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C(F)(F)F)[nH]c4ccccc34)cn2)c1.Cl.

What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride?

The InChIKey is QYJOUPUEBXXMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O.ClH/c1-13-9-14(2)30-19(10-13)32-22-28-11-15(12-29-22)21(33)27-8-7-17-16-5-3-4-6-18(16)31-20(17)23(24,25)26;/h3-6,9-12,31H,7-8H2,1-2H3,(H,27,33)(H,28,29,30,32);1H.

What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride?

2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 490.92 g/mol, XLogP of 5.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 155553139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).