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

C19H12Cl3N3S — CID 21009851

IUPAC5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl3N3S/c1-10-16(11-2-4-12(20)5-3-11)17-18(23-9-24-19(17)26-10)25-15-7-13(21)6-14(22)8-15/h2-9H,1H3,(H,23,24,25)
InChIKeySXMGQZZMOFEZRP-UHFFFAOYSA-N
MW420.75 g/mol
LogP7.37
Rot. Bonds3

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

5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 21009851) has the molecular formula C19H12Cl3N3S and a molecular weight of 420.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID21009851
Molecular FormulaC19H12Cl3N3S
Molecular Weight420.75 g/mol
Exact Mass418.98
IUPAC Name5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl3N3S/c1-10-16(11-2-4-12(20)5-3-11)17-18(23-9-24-19(17)26-10)25-15-7-13(21)6-14(22)8-15/h2-9H,1H3,(H,23,24,25)
InChIKeySXMGQZZMOFEZRP-UHFFFAOYSA-N
XLogP7.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.75
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010002
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-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009771
5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009282
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011540
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
5-(4-bromophenyl)-N-(3,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 21009866

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 21009851) is 5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SXMGQZZMOFEZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3S/c1-10-16(11-2-4-12(20)5-3-11)17-18(23-9-24-19(17)26-10)25-15-7-13(21)6-14(22)8-15/h2-9H,1H3,(H,23,24,25).
What are the key properties of 5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 420.75 g/mol, XLogP of 7.37, 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-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21009851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).