3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile

C14H8Cl2N4S — CID 107809560

IUPAC3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
SMILESCc1cc2c(Nc3ccc(C#N)cc3Cl)nc(Cl)nc2s1
InChIInChI=1S/C14H8Cl2N4S/c1-7-4-9-12(19-14(16)20-13(9)21-7)18-11-3-2-8(6-17)5-10(11)15/h2-5H,1H3,(H,18,19,20)
InChIKeyCBGIJBZANFAQEG-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.92
Rot. Bonds2

About 3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile

3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile (PubChem CID 107809560) has the molecular formula C14H8Cl2N4S and a molecular weight of 335.22 g/mol. Its IUPAC name is 3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
PubChem CID107809560
Molecular FormulaC14H8Cl2N4S
Molecular Weight335.22 g/mol
Exact Mass333.98
IUPAC Name3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
SMILESCc1cc2c(Nc3ccc(C#N)cc3Cl)nc(Cl)nc2s1
InChIInChI=1S/C14H8Cl2N4S/c1-7-4-9-12(19-14(16)20-13(9)21-7)18-11-3-2-8(6-17)5-10(11)15/h2-5H,1H3,(H,18,19,20)
InChIKeyCBGIJBZANFAQEG-UHFFFAOYSA-N
XLogP4.92
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile 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

2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320288
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320354
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol
CID 82065977
2-chloro-6-methyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 82066002
N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320740
3-chloro-4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]benzonitrile
CID 114003592
4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107604772
3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82065960
2-chloro-6-methyl-N-quinolin-8-ylthieno[2,3-d]pyrimidin-4-amine
CID 82065968
3-chloro-4-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107809621
N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 107576916

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile (CID 107809560) is 3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile is Cc1cc2c(Nc3ccc(C#N)cc3Cl)nc(Cl)nc2s1.
What is the InChIKey of 3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile?
The InChIKey is CBGIJBZANFAQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4S/c1-7-4-9-12(19-14(16)20-13(9)21-7)18-11-3-2-8(6-17)5-10(11)15/h2-5H,1H3,(H,18,19,20).
What are the key properties of 3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile?
3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile has a molecular weight of 335.22 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 107809560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).