N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide

C15H25N7S — CID 111062149

IUPACN'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCN1CCN(c2ncccn2)CC1)N1CCSCC1
InChIInChI=1S/C15H25N7S/c16-14(21-10-12-23-13-11-21)17-4-5-20-6-8-22(9-7-20)15-18-2-1-3-19-15/h1-3H,4-13H2,(H2,16,17)
InChIKeyDRJDEAIMJGJYTG-UHFFFAOYSA-N
MW335.48 g/mol
LogP-0.04
Rot. Bonds4

About N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide

N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide (PubChem CID 111062149) has the molecular formula C15H25N7S and a molecular weight of 335.48 g/mol. Its IUPAC name is N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide
PubChem CID111062149
Molecular FormulaC15H25N7S
Molecular Weight335.48 g/mol
Exact Mass335.19
IUPAC NameN'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCN1CCN(c2ncccn2)CC1)N1CCSCC1
InChIInChI=1S/C15H25N7S/c16-14(21-10-12-23-13-11-21)17-4-5-20-6-8-22(9-7-20)15-18-2-1-3-19-15/h1-3H,4-13H2,(H2,16,17)
InChIKeyDRJDEAIMJGJYTG-UHFFFAOYSA-N
XLogP-0.04
TPSA73.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122082011
N'-(2-morpholin-4-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111024484
4-(4-fluorophenyl)-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111043439
N'-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119119813
N'-[2-(3,5-difluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121003
4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119146625
1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111062122
N'-(2-phenylsulfanylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117550
N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119118712
N'-[2-(2,4-dichlorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117163
N'-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111092213
4-pyrimidin-2-yl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 119119334

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide (CID 111062149) is N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide is N/C(=N\CCN1CCN(c2ncccn2)CC1)N1CCSCC1.
What is the InChIKey of N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide?
The InChIKey is DRJDEAIMJGJYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7S/c16-14(21-10-12-23-13-11-21)17-4-5-20-6-8-22(9-7-20)15-18-2-1-3-19-15/h1-3H,4-13H2,(H2,16,17).
What are the key properties of N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide?
N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide has a molecular weight of 335.48 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111062149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).