4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

C16H16FN5S — CID 166601575

IUPAC4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESFc1cccnc1CN1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C16H16FN5S/c17-12-2-1-4-18-14(12)10-21-5-7-22(8-6-21)16-15-13(3-9-23-15)19-11-20-16/h1-4,9,11H,5-8,10H2
InChIKeyGIHAPRDMBANIEE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.55
Rot. Bonds3

About 4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 166601575) has the molecular formula C16H16FN5S and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID166601575
Molecular FormulaC16H16FN5S
Molecular Weight329.40 g/mol
Exact Mass329.11
IUPAC Name4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESFc1cccnc1CN1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C16H16FN5S/c17-12-2-1-4-18-14(12)10-21-5-7-22(8-6-21)16-15-13(3-9-23-15)19-11-20-16/h1-4,9,11H,5-8,10H2
InChIKeyGIHAPRDMBANIEE-UHFFFAOYSA-N
XLogP2.55
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 166601575) is 4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is Fc1cccnc1CN1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is GIHAPRDMBANIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5S/c17-12-2-1-4-18-14(12)10-21-5-7-22(8-6-21)16-15-13(3-9-23-15)19-11-20-16/h1-4,9,11H,5-8,10H2.
What are the key properties of 4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 329.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 166601575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).