N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C20H35N7 — CID 119130648

IUPACN-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)N1CCCCC1C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H35N7/c1-4-21-19(24-16-18(3)27-11-6-5-8-17(27)2)25-12-14-26(15-13-25)20-22-9-7-10-23-20/h7,9-10,17-18H,4-6,8,11-16H2,1-3H3,(H,21,24)
InChIKeyIZFNGMKGRFNWTI-UHFFFAOYSA-N
MW373.55 g/mol
LogP1.83
Rot. Bonds5

About N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 119130648) has the molecular formula C20H35N7 and a molecular weight of 373.55 g/mol. Its IUPAC name is N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID119130648
Molecular FormulaC20H35N7
Molecular Weight373.55 g/mol
Exact Mass373.30
IUPAC NameN-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC(C)N1CCCCC1C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H35N7/c1-4-21-19(24-16-18(3)27-11-6-5-8-17(27)2)25-12-14-26(15-13-25)20-22-9-7-10-23-20/h7,9-10,17-18H,4-6,8,11-16H2,1-3H3,(H,21,24)
InChIKeyIZFNGMKGRFNWTI-UHFFFAOYSA-N
XLogP1.83
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 51.83
H-Bond Donors ≤ 51
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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Related Compounds

N-ethyl-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207276
N-ethyl-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207275
N-ethyl-N'-(2-methyl-3-piperidin-1-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207766
N-ethyl-N'-(2-ethylbutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111983910
N'-[2-(diethylamino)propyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206429
N-ethyl-N'-[2-(4-phenylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206497
N-ethyl-N'-(2-phenylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206958
N-ethyl-4-pyrimidin-2-yl-N'-(3,3,3-trifluoro-2-hydroxypropyl)piperazine-1-carboximidamide
CID 119130694
N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119143857
N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119144724
N-ethyl-N'-[(2-methylcyclopropyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119130702
N-ethyl-N'-(2-phenylsulfanylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111496108

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 119130648) is N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is CCN/C(=N\CC(C)N1CCCCC1C)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is IZFNGMKGRFNWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N7/c1-4-21-19(24-16-18(3)27-11-6-5-8-17(27)2)25-12-14-26(15-13-25)20-22-9-7-10-23-20/h7,9-10,17-18H,4-6,8,11-16H2,1-3H3,(H,21,24).
What are the key properties of N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 373.55 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 119130648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).