5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine

C18H10Cl3N3S — CID 28695571

IUPAC5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(-c2csc3ncnc(Nc4c(Cl)cccc4Cl)c23)cc1
InChIInChI=1S/C18H10Cl3N3S/c19-11-6-4-10(5-7-11)12-8-25-18-15(12)17(22-9-23-18)24-16-13(20)2-1-3-14(16)21/h1-9H,(H,22,23,24)
InChIKeyNCEAYUUXPADNAA-UHFFFAOYSA-N
MW406.73 g/mol
LogP7.06
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine

5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 28695571) has the molecular formula C18H10Cl3N3S and a molecular weight of 406.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID28695571
Molecular FormulaC18H10Cl3N3S
Molecular Weight406.73 g/mol
Exact Mass404.97
IUPAC Name5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(-c2csc3ncnc(Nc4c(Cl)cccc4Cl)c23)cc1
InChIInChI=1S/C18H10Cl3N3S/c19-11-6-4-10(5-7-11)12-8-25-18-15(12)17(22-9-23-18)24-16-13(20)2-1-3-14(16)21/h1-9H,(H,22,23,24)
InChIKeyNCEAYUUXPADNAA-UHFFFAOYSA-N
XLogP7.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.73
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009623
5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659879
5-(4-propan-2-ylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110447011
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009781
3-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 20997842
N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7574829
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 20964581
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 28850288
[4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl] thiocyanate
CID 21012078
5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2401377
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-N-naphthalen-1-ylethane-1,2-diamine
CID 28505096

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 28695571) is 5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine is Clc1ccc(-c2csc3ncnc(Nc4c(Cl)cccc4Cl)c23)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NCEAYUUXPADNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3N3S/c19-11-6-4-10(5-7-11)12-8-25-18-15(12)17(22-9-23-18)24-16-13(20)2-1-3-14(16)21/h1-9H,(H,22,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 406.73 g/mol, XLogP of 7.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28695571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).