N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine

C15H17FN4OS — CID 70990561

IUPACN-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine
SMILESFc1cnc(OCc2cccs2)nc1/N=C/N1CCCCC1
InChIInChI=1S/C15H17FN4OS/c16-13-9-17-15(21-10-12-5-4-8-22-12)19-14(13)18-11-20-6-2-1-3-7-20/h4-5,8-9,11H,1-3,6-7,10H2/b18-11+
InChIKeyQDUZRRPVKZQPJD-WOJGMQOQSA-N
MW320.39 g/mol
LogP3.40
Rot. Bonds5

About N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine

N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine (PubChem CID 70990561) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine.

Molecular Properties

Compound NameN-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine
PubChem CID70990561
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC NameN-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine
SMILESFc1cnc(OCc2cccs2)nc1/N=C/N1CCCCC1
InChIInChI=1S/C15H17FN4OS/c16-13-9-17-15(21-10-12-5-4-8-22-12)19-14(13)18-11-20-6-2-1-3-7-20/h4-5,8-9,11H,1-3,6-7,10H2/b18-11+
InChIKeyQDUZRRPVKZQPJD-WOJGMQOQSA-N
XLogP3.40
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine?
The IUPAC name of N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine (CID 70990561) is N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine.
What is the SMILES notation for N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine?
The canonical SMILES for N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine is Fc1cnc(OCc2cccs2)nc1/N=C/N1CCCCC1.
What is the InChIKey of N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine?
The InChIKey is QDUZRRPVKZQPJD-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H17FN4OS/c16-13-9-17-15(21-10-12-5-4-8-22-12)19-14(13)18-11-20-6-2-1-3-7-20/h4-5,8-9,11H,1-3,6-7,10H2/b18-11+.
What are the key properties of N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine?
N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine has a molecular weight of 320.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(thiophen-2-ylmethoxy)pyrimidin-4-yl]-1-piperidin-1-ylmethanimine is sourced from PubChem (CID 70990561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).