2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine

C11H14ClN3S2 — CID 103322476

IUPAC2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCSC(C)CNc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C11H14ClN3S2/c1-6-4-8-9(13-5-7(2)16-3)14-11(12)15-10(8)17-6/h4,7H,5H2,1-3H3,(H,13,14,15)
InChIKeyMYXAZSMAHGGTNN-UHFFFAOYSA-N
MW287.84 g/mol
LogP3.82
Rot. Bonds4

About 2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322476) has the molecular formula C11H14ClN3S2 and a molecular weight of 287.84 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103322476
Molecular FormulaC11H14ClN3S2
Molecular Weight287.84 g/mol
Exact Mass287.03
IUPAC Name2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCSC(C)CNc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C11H14ClN3S2/c1-6-4-8-9(13-5-7(2)16-3)14-11(12)15-10(8)17-6/h4,7H,5H2,1-3H3,(H,13,14,15)
InChIKeyMYXAZSMAHGGTNN-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.84
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329962
2-chloro-6-methyl-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322498
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492
2-chloro-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321900
2-chloro-6-methyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103321761
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 114188160
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 82066304
N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106196459
N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103321513
1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103321912
[1-[[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 103322245
2-chloro-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114156486

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 103322476) is 2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine is CSC(C)CNc1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of 2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MYXAZSMAHGGTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S2/c1-6-4-8-9(13-5-7(2)16-3)14-11(12)15-10(8)17-6/h4,7H,5H2,1-3H3,(H,13,14,15).
What are the key properties of 2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.84 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).