5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine

C12H17N3S2 — CID 169049669

IUPAC5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(SCC(C)C)nc(N)c2c1C
InChIInChI=1S/C12H17N3S2/c1-6(2)5-16-12-14-10(13)9-7(3)8(4)17-11(9)15-12/h6H,5H2,1-4H3,(H2,13,14,15)
InChIKeyMSESNPLSUYRLSG-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.64
Rot. Bonds3

About 5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 169049669) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID169049669
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(SCC(C)C)nc(N)c2c1C
InChIInChI=1S/C12H17N3S2/c1-6(2)5-16-12-14-10(13)9-7(3)8(4)17-11(9)15-12/h6H,5H2,1-4H3,(H2,13,14,15)
InChIKeyMSESNPLSUYRLSG-UHFFFAOYSA-N
XLogP3.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 650599
2-hexylsulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4255605
4-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-methylbutan-2-ol
CID 111537082
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43058571
2-[(2,2-dichlorocyclopropyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 42952479
5,6-dimethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 61026333
2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 40973732
2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 46583765
2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 1451575
5,6-dimethyl-2-[3-(1-methylpyrazol-4-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 87009391
2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43056130
5,6-dimethyl-2-[(2-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 56563656

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine (CID 169049669) is 5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(SCC(C)C)nc(N)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MSESNPLSUYRLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-6(2)5-16-12-14-10(13)9-7(3)8(4)17-11(9)15-12/h6H,5H2,1-4H3,(H2,13,14,15).
What are the key properties of 5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 267.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 169049669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).