5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

C20H12Cl2F3N3S — CID 21010002

IUPAC5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2F3N3S/c1-10-16(11-2-4-12(21)5-3-11)17-18(26-9-27-19(17)29-10)28-13-6-7-15(22)14(8-13)20(23,24)25/h2-9H,1H3,(H,26,27,28)
InChIKeyIPLZXGDTXDFBQL-UHFFFAOYSA-N
MW454.30 g/mol
LogP7.74
Rot. Bonds3

About 5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 21010002) has the molecular formula C20H12Cl2F3N3S and a molecular weight of 454.30 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID21010002
Molecular FormulaC20H12Cl2F3N3S
Molecular Weight454.30 g/mol
Exact Mass453.01
IUPAC Name5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2F3N3S/c1-10-16(11-2-4-12(21)5-3-11)17-18(26-9-27-19(17)29-10)28-13-6-7-15(22)14(8-13)20(23,24)25/h2-9H,1H3,(H,26,27,28)
InChIKeyIPLZXGDTXDFBQL-UHFFFAOYSA-N
XLogP7.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.30
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010016
5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009851
5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010083
5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010171
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011540
methyl 4-[[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21012237
5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009828
5-(4-chlorophenyl)-6-methyl-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21012285
N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011069
N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009771
4-N,4-N-dimethyl-1-N-[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 21012140
propan-2-yl 3-[[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21012632

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 21010002) is 5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IPLZXGDTXDFBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3N3S/c1-10-16(11-2-4-12(21)5-3-11)17-18(26-9-27-19(17)29-10)28-13-6-7-15(22)14(8-13)20(23,24)25/h2-9H,1H3,(H,26,27,28).
What are the key properties of 5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 454.30 g/mol, XLogP of 7.74, 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-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21010002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).