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

C18H10Cl3N3S — CID 110659879

IUPAC5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1cc(Cl)c(Nc2ncnc3scc(-c4ccccc4)c23)c(Cl)c1
InChIInChI=1S/C18H10Cl3N3S/c19-11-6-13(20)16(14(21)7-11)24-17-15-12(10-4-2-1-3-5-10)8-25-18(15)23-9-22-17/h1-9H,(H,22,23,24)
InChIKeyOGHMENOFGWKLSG-UHFFFAOYSA-N
MW406.73 g/mol
LogP7.06
Rot. Bonds3

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

5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 110659879) has the molecular formula C18H10Cl3N3S and a molecular weight of 406.73 g/mol. Its IUPAC name is 5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID110659879
Molecular FormulaC18H10Cl3N3S
Molecular Weight406.73 g/mol
Exact Mass404.97
IUPAC Name5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1cc(Cl)c(Nc2ncnc3scc(-c4ccccc4)c23)c(Cl)c1
InChIInChI=1S/C18H10Cl3N3S/c19-11-6-13(20)16(14(21)7-11)24-17-15-12(10-4-2-1-3-5-10)8-25-18(15)23-9-22-17/h1-9H,(H,22,23,24)
InChIKeyOGHMENOFGWKLSG-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

5-(4-propan-2-ylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110447011
5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695571
N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7574829
N-(2-chlorophenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009623
N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 21010054
methyl 4-chloro-3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 21011894
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 26470392
N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane
CID 144926094
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

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 110659879) is 5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine is Clc1cc(Cl)c(Nc2ncnc3scc(-c4ccccc4)c23)c(Cl)c1.
What is the InChIKey of 5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OGHMENOFGWKLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3N3S/c19-11-6-13(20)16(14(21)7-11)24-17-15-12(10-4-2-1-3-5-10)8-25-18(15)23-9-22-17/h1-9H,(H,22,23,24).
What are the key properties of 5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
5-phenyl-N-(2,4,6-trichlorophenyl)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-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110659879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).