N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine

C11H13N3OS2 — CID 79968552

IUPACN-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CSCCO2)nc2sccc12
InChIInChI=1S/C11H13N3OS2/c1-12-9-7-2-4-17-11(7)14-10(13-9)8-6-16-5-3-15-8/h2,4,8H,3,5-6H2,1H3,(H,12,13,14)
InChIKeyRFBOKAADBSVFJF-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.54
Rot. Bonds2

About N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine

N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 79968552) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID79968552
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CSCCO2)nc2sccc12
InChIInChI=1S/C11H13N3OS2/c1-12-9-7-2-4-17-11(7)14-10(13-9)8-6-16-5-3-15-8/h2,4,8H,3,5-6H2,1H3,(H,12,13,14)
InChIKeyRFBOKAADBSVFJF-UHFFFAOYSA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 79968552) is N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine is CNc1nc(C2CSCCO2)nc2sccc12.
What is the InChIKey of N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RFBOKAADBSVFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-12-9-7-2-4-17-11(7)14-10(13-9)8-6-16-5-3-15-8/h2,4,8H,3,5-6H2,1H3,(H,12,13,14).
What are the key properties of N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79968552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).