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

C13H9Cl2N3S — CID 95507140

IUPAC4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Cl)c2c(-c3ccc(Cl)cc3)csc2n1
InChIInChI=1S/C13H9Cl2N3S/c1-16-13-17-11(15)10-9(6-19-12(10)18-13)7-2-4-8(14)5-3-7/h2-6H,1H3,(H,16,17,18)
InChIKeyGFJBNVUJDPXBTN-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.71
Rot. Bonds2

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

4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 95507140) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is 4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID95507140
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC Name4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Cl)c2c(-c3ccc(Cl)cc3)csc2n1
InChIInChI=1S/C13H9Cl2N3S/c1-16-13-17-11(15)10-9(6-19-12(10)18-13)7-2-4-8(14)5-3-7/h2-6H,1H3,(H,16,17,18)
InChIKeyGFJBNVUJDPXBTN-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-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

4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine
CID 82309519
4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine
CID 95507132
4-chloro-5-(4-methylphenyl)-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine
CID 95507130
2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066336
2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine
CID 12824912
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660
5-(4-tert-butylphenyl)-2-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868602
5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one
CID 732028
5-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868373
2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890377
[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl N,N'-dimethylcarbamimidothioate
CID 8866372
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 95507140) is 4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Cl)c2c(-c3ccc(Cl)cc3)csc2n1.
What is the InChIKey of 4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is GFJBNVUJDPXBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c1-16-13-17-11(15)10-9(6-19-12(10)18-13)7-2-4-8(14)5-3-7/h2-6H,1H3,(H,16,17,18).
What are the key properties of 4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 310.21 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-chlorophenyl)-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 95507140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).