2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine

C15H12Cl3N5 — CID 59771356

IUPAC2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine
SMILESCc1cn(-c2cc(Nc3c(Cl)cc(Cl)cc3Cl)nc(C)n2)cn1
InChIInChI=1S/C15H12Cl3N5/c1-8-6-23(7-19-8)14-5-13(20-9(2)21-14)22-15-11(17)3-10(16)4-12(15)18/h3-7H,1-2H3,(H,20,21,22)
InChIKeyQCXFIZLCBXSJJI-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.98
Rot. Bonds3

About 2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine

2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine (PubChem CID 59771356) has the molecular formula C15H12Cl3N5 and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine
PubChem CID59771356
Molecular FormulaC15H12Cl3N5
Molecular Weight368.66 g/mol
Exact Mass367.02
IUPAC Name2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine
SMILESCc1cn(-c2cc(Nc3c(Cl)cc(Cl)cc3Cl)nc(C)n2)cn1
InChIInChI=1S/C15H12Cl3N5/c1-8-6-23(7-19-8)14-5-13(20-9(2)21-14)22-15-11(17)3-10(16)4-12(15)18/h3-7H,1-2H3,(H,20,21,22)
InChIKeyQCXFIZLCBXSJJI-UHFFFAOYSA-N
XLogP4.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine (CID 59771356) is 2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine is Cc1cn(-c2cc(Nc3c(Cl)cc(Cl)cc3Cl)nc(C)n2)cn1.
What is the InChIKey of 2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine?
The InChIKey is QCXFIZLCBXSJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N5/c1-8-6-23(7-19-8)14-5-13(20-9(2)21-14)22-15-11(17)3-10(16)4-12(15)18/h3-7H,1-2H3,(H,20,21,22).
What are the key properties of 2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine?
2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine has a molecular weight of 368.66 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 59771356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).