4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C29H23Cl3N6O — CID 11203978

IUPAC4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESClc1ccc(-c2nc(-c3c(Cl)cccc3Cl)[nH]c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C29H23Cl3N6O/c30-19-6-4-18(5-7-19)26-27(37-28(36-26)25-22(31)2-1-3-23(25)32)24-12-13-33-29(35-24)34-20-8-10-21(11-9-20)38-14-16-39-17-15-38/h1-13H,14-17H2,(H,36,37)(H,33,34,35)
InChIKeyQQNROWHDOWZVQN-UHFFFAOYSA-N
MW577.90 g/mol
LogP7.74
Rot. Bonds6

About 4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 11203978) has the molecular formula C29H23Cl3N6O and a molecular weight of 577.90 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID11203978
Molecular FormulaC29H23Cl3N6O
Molecular Weight577.90 g/mol
Exact Mass576.10
IUPAC Name4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESClc1ccc(-c2nc(-c3c(Cl)cccc3Cl)[nH]c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C29H23Cl3N6O/c30-19-6-4-18(5-7-19)26-27(37-28(36-26)25-22(31)2-1-3-23(25)32)24-12-13-33-29(35-24)34-20-8-10-21(11-9-20)38-14-16-39-17-15-38/h1-13H,14-17H2,(H,36,37)(H,33,34,35)
InChIKeyQQNROWHDOWZVQN-UHFFFAOYSA-N
XLogP7.74
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.90
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-[4-[2-(diethylamino)ethoxy]phenyl]pyrimidin-2-amine
CID 11238839
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
2-chloro-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzonitrile
CID 25061946
4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 46882411
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 10456191
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
4-[2-(2,6-dichlorophenyl)-4-(3-ethynylphenyl)-1H-imidazol-5-yl]-N-[4-[2-(diethylamino)ethoxy]phenyl]pyrimidin-2-amine
CID 11284831
2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 154271986
4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine
CID 44627580
N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]cyclohexanecarboxamide
CID 159909500
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 11203978) is 4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is Clc1ccc(-c2nc(-c3c(Cl)cccc3Cl)[nH]c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is QQNROWHDOWZVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl3N6O/c30-19-6-4-18(5-7-19)26-27(37-28(36-26)25-22(31)2-1-3-23(25)32)24-12-13-33-29(35-24)34-20-8-10-21(11-9-20)38-14-16-39-17-15-38/h1-13H,14-17H2,(H,36,37)(H,33,34,35).
What are the key properties of 4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 577.90 g/mol, XLogP of 7.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 11203978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).