N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine

C19H22FN5S — CID 133294022

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1N1CCN(CCCNc2ncnc3sccc23)CC1
InChIInChI=1S/C19H22FN5S/c20-16-4-1-2-5-17(16)25-11-9-24(10-12-25)8-3-7-21-18-15-6-13-26-19(15)23-14-22-18/h1-2,4-6,13-14H,3,7-12H2,(H,21,22,23)
InChIKeyNVMHQWIXGJLUDO-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.45
Rot. Bonds6

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133294022) has the molecular formula C19H22FN5S and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133294022
Molecular FormulaC19H22FN5S
Molecular Weight371.49 g/mol
Exact Mass371.16
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1N1CCN(CCCNc2ncnc3sccc23)CC1
InChIInChI=1S/C19H22FN5S/c20-16-4-1-2-5-17(16)25-11-9-24(10-12-25)8-3-7-21-18-15-6-13-26-19(15)23-14-22-18/h1-2,4-6,13-14H,3,7-12H2,(H,21,22,23)
InChIKeyNVMHQWIXGJLUDO-UHFFFAOYSA-N
XLogP3.45
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109
N-[2-(2-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 43087172
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine
CID 133294018
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133311493
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133321160
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine
CID 133294032
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119705
N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 115637407
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine (CID 133294022) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine is Fc1ccccc1N1CCN(CCCNc2ncnc3sccc23)CC1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NVMHQWIXGJLUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5S/c20-16-4-1-2-5-17(16)25-11-9-24(10-12-25)8-3-7-21-18-15-6-13-26-19(15)23-14-22-18/h1-2,4-6,13-14H,3,7-12H2,(H,21,22,23).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 371.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133294022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).