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

C12H17N3OS — CID 64574048

IUPAC3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COc1ncnc2ccsc12
InChIInChI=1S/C12H17N3OS/c1-3-12(13,4-2)7-16-11-10-9(5-6-17-10)14-8-15-11/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyFEXQEOPUWSYFHA-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.59
Rot. Bonds5

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

3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine (PubChem CID 64574048) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine.

Molecular Properties

Compound Name3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine
PubChem CID64574048
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COc1ncnc2ccsc12
InChIInChI=1S/C12H17N3OS/c1-3-12(13,4-2)7-16-11-10-9(5-6-17-10)14-8-15-11/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeyFEXQEOPUWSYFHA-UHFFFAOYSA-N
XLogP2.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine?
The IUPAC name of 3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine (CID 64574048) is 3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine.
What is the SMILES notation for 3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine?
The canonical SMILES for 3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine is CCC(N)(CC)COc1ncnc2ccsc12.
What is the InChIKey of 3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine?
The InChIKey is FEXQEOPUWSYFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-3-12(13,4-2)7-16-11-10-9(5-6-17-10)14-8-15-11/h5-6,8H,3-4,7,13H2,1-2H3.
What are the key properties of 3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine?
3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine has a molecular weight of 251.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thieno[3,2-d]pyrimidin-4-yloxymethyl)pentan-3-amine is sourced from PubChem (CID 64574048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).