N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

C20H13ClF3N3S — CID 21010805

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2csc3ncnc(Nc4cc(C(F)(F)F)ccc4Cl)c23)cc1
InChIInChI=1S/C20H13ClF3N3S/c1-11-2-4-12(5-3-11)14-9-28-19-17(14)18(25-10-26-19)27-16-8-13(20(22,23)24)6-7-15(16)21/h2-10H,1H3,(H,25,26,27)
InChIKeyLDEZKWYKFARXKE-UHFFFAOYSA-N
MW419.86 g/mol
LogP7.08
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 21010805) has the molecular formula C20H13ClF3N3S and a molecular weight of 419.86 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID21010805
Molecular FormulaC20H13ClF3N3S
Molecular Weight419.86 g/mol
Exact Mass419.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2csc3ncnc(Nc4cc(C(F)(F)F)ccc4Cl)c23)cc1
InChIInChI=1S/C20H13ClF3N3S/c1-11-2-4-12(5-3-11)14-9-28-19-17(14)18(25-10-26-19)27-16-8-13(20(22,23)24)6-7-15(16)21/h2-10H,1H3,(H,25,26,27)
InChIKeyLDEZKWYKFARXKE-UHFFFAOYSA-N
XLogP7.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.86
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010821
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009781
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
N-(2-chlorophenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009623
5-(4-propan-2-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-d]pyrimidin-4-amine
CID 110499123
5-chloro-2-methoxy-4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 21011212
5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011309
5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2241086
methyl 4-chloro-3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 21011894
methyl 4-chloro-3-[[5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21011918
5-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 17010811
N-(2,4-dimethylphenyl)-5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011311

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 21010805) is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2csc3ncnc(Nc4cc(C(F)(F)F)ccc4Cl)c23)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LDEZKWYKFARXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3S/c1-11-2-4-12(5-3-11)14-9-28-19-17(14)18(25-10-26-19)27-16-8-13(20(22,23)24)6-7-15(16)21/h2-10H,1H3,(H,25,26,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 419.86 g/mol, XLogP of 7.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21010805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).