2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C12H8Cl3N3S — CID 114268170

IUPAC2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESClc1ccc(Nc2nc(Cl)nc3c2SCC3)c(Cl)c1
InChIInChI=1S/C12H8Cl3N3S/c13-6-1-2-8(7(14)5-6)16-11-10-9(3-4-19-10)17-12(15)18-11/h1-2,5H,3-4H2,(H,16,17,18)
InChIKeyXOSRKGXYQRSTEI-UHFFFAOYSA-N
MW332.64 g/mol
LogP4.83
Rot. Bonds2

About 2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 114268170) has the molecular formula C12H8Cl3N3S and a molecular weight of 332.64 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID114268170
Molecular FormulaC12H8Cl3N3S
Molecular Weight332.64 g/mol
Exact Mass330.95
IUPAC Name2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESClc1ccc(Nc2nc(Cl)nc3c2SCC3)c(Cl)c1
InChIInChI=1S/C12H8Cl3N3S/c13-6-1-2-8(7(14)5-6)16-11-10-9(3-4-19-10)17-12(15)18-11/h1-2,5H,3-4H2,(H,16,17,18)
InChIKeyXOSRKGXYQRSTEI-UHFFFAOYSA-N
XLogP4.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.64
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-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

2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268265
2-chloro-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 176867579
2-chloro-4-N-(2,4-dichlorophenyl)-6-methylpyrimidine-4,5-diamine
CID 114043547
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 130505615
2-chloro-N-(pyridin-2-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268183
2-chloro-4-(2,5-difluorophenoxy)-6,7-dihydrothieno[3,2-d]pyrimidine
CID 114268155
2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
CID 158141980
methyl 2-[4-[(2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]acetate
CID 178120921
2-(2,4-dichloroanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63517647
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
5-bromo-4-N-(2,4-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759983

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 114268170) is 2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Clc1ccc(Nc2nc(Cl)nc3c2SCC3)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is XOSRKGXYQRSTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N3S/c13-6-1-2-8(7(14)5-6)16-11-10-9(3-4-19-10)17-12(15)18-11/h1-2,5H,3-4H2,(H,16,17,18).
What are the key properties of 2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 332.64 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dichlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 114268170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).