N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine

C8H9N3S2 — CID 1481009

IUPACN-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine
SMILESCNc1nc(SC)nc2ccsc12
InChIInChI=1S/C8H9N3S2/c1-9-7-6-5(3-4-13-6)10-8(11-7)12-2/h3-4H,1-2H3,(H,9,10,11)
InChIKeyQQHCNHFIVXEYLP-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.45
Rot. Bonds2

About N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine

N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 1481009) has the molecular formula C8H9N3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine
PubChem CID1481009
Molecular FormulaC8H9N3S2
Molecular Weight211.31 g/mol
Exact Mass211.02
IUPAC NameN-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine
SMILESCNc1nc(SC)nc2ccsc12
InChIInChI=1S/C8H9N3S2/c1-9-7-6-5(3-4-13-6)10-8(11-7)12-2/h3-4H,1-2H3,(H,9,10,11)
InChIKeyQQHCNHFIVXEYLP-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine (CID 1481009) is N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine is CNc1nc(SC)nc2ccsc12.
What is the InChIKey of N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QQHCNHFIVXEYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-9-7-6-5(3-4-13-6)10-8(11-7)12-2/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine?
N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 211.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 1481009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).