4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

C13H11ClN4S2 — CID 103335086

IUPAC4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2ccc(Cl)cn2)c2cc(C)sc2n1
InChIInChI=1S/C13H11ClN4S2/c1-7-5-9-11(19-7)17-13(15-2)18-12(9)20-10-4-3-8(14)6-16-10/h3-6H,1-2H3,(H,15,17,18)
InChIKeyUYWFFVBSAMQCSO-UHFFFAOYSA-N
MW322.85 g/mol
LogP4.24
Rot. Bonds3

About 4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103335086) has the molecular formula C13H11ClN4S2 and a molecular weight of 322.85 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103335086
Molecular FormulaC13H11ClN4S2
Molecular Weight322.85 g/mol
Exact Mass322.01
IUPAC Name4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2ccc(Cl)cn2)c2cc(C)sc2n1
InChIInChI=1S/C13H11ClN4S2/c1-7-5-9-11(19-7)17-13(15-2)18-12(9)20-10-4-3-8(14)6-16-10/h3-6H,1-2H3,(H,15,17,18)
InChIKeyUYWFFVBSAMQCSO-UHFFFAOYSA-N
XLogP4.24
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.85
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 114001337
4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334827
[4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336532
4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331812
4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334041
N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103335001
6-methyl-N-propyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334996
(6-methyl-4-pyrazin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336631
N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103334872
5-chloro-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890456
[4-(2,5-difluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336545
4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330625

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 103335086) is 4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Sc2ccc(Cl)cn2)c2cc(C)sc2n1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is UYWFFVBSAMQCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S2/c1-7-5-9-11(19-7)17-13(15-2)18-12(9)20-10-4-3-8(14)6-16-10/h3-6H,1-2H3,(H,15,17,18).
What are the key properties of 4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 322.85 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103335086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).