2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine

C12H15N3O2S — CID 62189057

IUPAC2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(COC2CCOCC2)nc2sccc12
InChIInChI=1S/C12H15N3O2S/c13-11-9-3-6-18-12(9)15-10(14-11)7-17-8-1-4-16-5-2-8/h3,6,8H,1-2,4-5,7H2,(H2,13,14,15)
InChIKeyRSZVHBNUWRVUQJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.97
Rot. Bonds3

About 2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine

2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62189057) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62189057
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(COC2CCOCC2)nc2sccc12
InChIInChI=1S/C12H15N3O2S/c13-11-9-3-6-18-12(9)15-10(14-11)7-17-8-1-4-16-5-2-8/h3,6,8H,1-2,4-5,7H2,(H2,13,14,15)
InChIKeyRSZVHBNUWRVUQJ-UHFFFAOYSA-N
XLogP1.97
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62189057) is 2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(COC2CCOCC2)nc2sccc12.
What is the InChIKey of 2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RSZVHBNUWRVUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-11-9-3-6-18-12(9)15-10(14-11)7-17-8-1-4-16-5-2-8/h3,6,8H,1-2,4-5,7H2,(H2,13,14,15).
What are the key properties of 2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 265.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62189057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).