2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

C12H17N3S2 — CID 55045128

IUPAC2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSC(C)(C)C)nc2sccc12
InChIInChI=1S/C12H17N3S2/c1-12(2,3)17-7-9-14-10(13-4)8-5-6-16-11(8)15-9/h5-6H,7H2,1-4H3,(H,13,14,15)
InChIKeyMDZWHMVFKNOKDC-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.76
Rot. Bonds3

About 2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 55045128) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID55045128
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSC(C)(C)C)nc2sccc12
InChIInChI=1S/C12H17N3S2/c1-12(2,3)17-7-9-14-10(13-4)8-5-6-16-11(8)15-9/h5-6H,7H2,1-4H3,(H,13,14,15)
InChIKeyMDZWHMVFKNOKDC-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 55045128) is 2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(CSC(C)(C)C)nc2sccc12.
What is the InChIKey of 2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MDZWHMVFKNOKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-12(2,3)17-7-9-14-10(13-4)8-5-6-16-11(8)15-9/h5-6H,7H2,1-4H3,(H,13,14,15).
What are the key properties of 2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 267.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55045128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).