N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine

C14H20N4OS — CID 63869511

IUPACN-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCCCOC2CCNCC2)c2sccc2n1
InChIInChI=1S/C14H20N4OS/c1(8-19-11-2-6-15-7-3-11)5-16-14-13-12(4-9-20-13)17-10-18-14/h4,9-11,15H,1-3,5-8H2,(H,16,17,18)
InChIKeyWWBSFNXAINMGGD-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.26
Rot. Bonds6

About N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine

N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 63869511) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID63869511
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCCCOC2CCNCC2)c2sccc2n1
InChIInChI=1S/C14H20N4OS/c1(8-19-11-2-6-15-7-3-11)5-16-14-13-12(4-9-20-13)17-10-18-14/h4,9-11,15H,1-3,5-8H2,(H,16,17,18)
InChIKeyWWBSFNXAINMGGD-UHFFFAOYSA-N
XLogP2.26
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine (CID 63869511) is N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine is c1nc(NCCCOC2CCNCC2)c2sccc2n1.
What is the InChIKey of N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WWBSFNXAINMGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1(8-19-11-2-6-15-7-3-11)5-16-14-13-12(4-9-20-13)17-10-18-14/h4,9-11,15H,1-3,5-8H2,(H,16,17,18).
What are the key properties of N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine?
N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 292.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 63869511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).