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

C20H14Cl3N5 — CID 59771349

IUPAC2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2c(Cl)cc(Cl)cc2Cl)cc(-n2cnc(-c3ccccc3)c2)n1
InChIInChI=1S/C20H14Cl3N5/c1-12-25-18(27-20-15(22)7-14(21)8-16(20)23)9-19(26-12)28-10-17(24-11-28)13-5-3-2-4-6-13/h2-11H,1H3,(H,25,26,27)
InChIKeyWSMSFKFCNIEGNH-UHFFFAOYSA-N
MW430.73 g/mol
LogP6.34
Rot. Bonds4

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

2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine (PubChem CID 59771349) has the molecular formula C20H14Cl3N5 and a molecular weight of 430.73 g/mol. Its IUPAC name is 2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine
PubChem CID59771349
Molecular FormulaC20H14Cl3N5
Molecular Weight430.73 g/mol
Exact Mass429.03
IUPAC Name2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2c(Cl)cc(Cl)cc2Cl)cc(-n2cnc(-c3ccccc3)c2)n1
InChIInChI=1S/C20H14Cl3N5/c1-12-25-18(27-20-15(22)7-14(21)8-16(20)23)9-19(26-12)28-10-17(24-11-28)13-5-3-2-4-6-13/h2-11H,1H3,(H,25,26,27)
InChIKeyWSMSFKFCNIEGNH-UHFFFAOYSA-N
XLogP6.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.73
LogP ≤ 56.34
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-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine (CID 59771349) is 2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine is Cc1nc(Nc2c(Cl)cc(Cl)cc2Cl)cc(-n2cnc(-c3ccccc3)c2)n1.
What is the InChIKey of 2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine?
The InChIKey is WSMSFKFCNIEGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3N5/c1-12-25-18(27-20-15(22)7-14(21)8-16(20)23)9-19(26-12)28-10-17(24-11-28)13-5-3-2-4-6-13/h2-11H,1H3,(H,25,26,27).
What are the key properties of 2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine?
2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine has a molecular weight of 430.73 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-phenylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 59771349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).