4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine

C13H9Cl2N3S2 — CID 103335037

IUPAC4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2ccc(Cl)c(Cl)c2)c2ccsc2n1
InChIInChI=1S/C13H9Cl2N3S2/c1-16-13-17-11-8(4-5-19-11)12(18-13)20-7-2-3-9(14)10(15)6-7/h2-6H,1H3,(H,16,17,18)
InChIKeyDGMCXKPJZGHUMW-UHFFFAOYSA-N
MW342.28 g/mol
LogP5.19
Rot. Bonds3

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

4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103335037) has the molecular formula C13H9Cl2N3S2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103335037
Molecular FormulaC13H9Cl2N3S2
Molecular Weight342.28 g/mol
Exact Mass340.96
IUPAC Name4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2ccc(Cl)c(Cl)c2)c2ccsc2n1
InChIInChI=1S/C13H9Cl2N3S2/c1-16-13-17-11-8(4-5-19-11)12(18-13)20-7-2-3-9(14)10(15)6-7/h2-6H,1H3,(H,16,17,18)
InChIKeyDGMCXKPJZGHUMW-UHFFFAOYSA-N
XLogP5.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335232
N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334534
4-(2,5-difluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334423
N-methyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334551
5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80891409
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103334519
4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 114001333
4-methyl-2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 136678147
N-methyl-4-propylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334188
N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334288
(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336515
4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332016

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103335037) is 4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Sc2ccc(Cl)c(Cl)c2)c2ccsc2n1.
What is the InChIKey of 4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is DGMCXKPJZGHUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S2/c1-16-13-17-11-8(4-5-19-11)12(18-13)20-7-2-3-9(14)10(15)6-7/h2-6H,1H3,(H,16,17,18).
What are the key properties of 4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 342.28 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103335037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).