2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine

C18H11Cl2F3N6 — CID 67383768

IUPAC2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCc1cc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)nc(C(F)(F)F)n1
InChIInChI=1S/C18H11Cl2F3N6/c1-8-7-12(28-17(25-8)18(21,22)23)27-16-14-11(5-6-24-16)26-15(29-14)13-9(19)3-2-4-10(13)20/h2-7H,1H3,(H,26,29)(H,24,25,27,28)
InChIKeyGPJLQKMKRZMNPH-UHFFFAOYSA-N
MW439.23 g/mol
LogP5.79
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine

2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 67383768) has the molecular formula C18H11Cl2F3N6 and a molecular weight of 439.23 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID67383768
Molecular FormulaC18H11Cl2F3N6
Molecular Weight439.23 g/mol
Exact Mass438.04
IUPAC Name2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCc1cc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)nc(C(F)(F)F)n1
InChIInChI=1S/C18H11Cl2F3N6/c1-8-7-12(28-17(25-8)18(21,22)23)27-16-14-11(5-6-24-16)26-15(29-14)13-9(19)3-2-4-10(13)20/h2-7H,1H3,(H,26,29)(H,24,25,27,28)
InChIKeyGPJLQKMKRZMNPH-UHFFFAOYSA-N
XLogP5.79
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.23
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine (CID 67383768) is 2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine is Cc1cc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)nc(C(F)(F)F)n1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is GPJLQKMKRZMNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F3N6/c1-8-7-12(28-17(25-8)18(21,22)23)27-16-14-11(5-6-24-16)26-15(29-14)13-9(19)3-2-4-10(13)20/h2-7H,1H3,(H,26,29)(H,24,25,27,28).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine?
2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 439.23 g/mol, XLogP of 5.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 67383768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).