N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

C11H13N3O2S — CID 47283434

IUPACN-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCC2COCCO2)c2sccc2n1
InChIInChI=1S/C11H13N3O2S/c1-4-17-10-9(1)13-7-14-11(10)12-5-8-6-15-2-3-16-8/h1,4,7-8H,2-3,5-6H2,(H,12,13,14)
InChIKeyWZMMDLZQIHTUPL-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.52
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 47283434) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID47283434
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCC2COCCO2)c2sccc2n1
InChIInChI=1S/C11H13N3O2S/c1-4-17-10-9(1)13-7-14-11(10)12-5-8-6-15-2-3-16-8/h1,4,7-8H,2-3,5-6H2,(H,12,13,14)
InChIKeyWZMMDLZQIHTUPL-UHFFFAOYSA-N
XLogP1.52
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (CID 47283434) is N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is c1nc(NCC2COCCO2)c2sccc2n1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WZMMDLZQIHTUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-17-10-9(1)13-7-14-11(10)12-5-8-6-15-2-3-16-8/h1,4,7-8H,2-3,5-6H2,(H,12,13,14).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 251.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 47283434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).