1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide

C15H28IN7 — CID 111062122

IUPAC1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
SMILESCN(C)C(=NCCN1CCN(c2ncccn2)CC1)N(C)C.I
InChIInChI=1S/C15H27N7.HI/c1-19(2)15(20(3)4)18-8-9-21-10-12-22(13-11-21)14-16-6-5-7-17-14;/h5-7H,8-13H2,1-4H3;1H
InChIKeyQHXDMBDGPJVSTL-UHFFFAOYSA-N
MW433.34 g/mol
LogP0.70
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide

1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide (PubChem CID 111062122) has the molecular formula C15H28IN7 and a molecular weight of 433.34 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
PubChem CID111062122
Molecular FormulaC15H28IN7
Molecular Weight433.34 g/mol
Exact Mass433.15
IUPAC Name1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
SMILESCN(C)C(=NCCN1CCN(c2ncccn2)CC1)N(C)C.I
InChIInChI=1S/C15H27N7.HI/c1-19(2)15(20(3)4)18-8-9-21-10-12-22(13-11-21)14-16-6-5-7-17-14;/h5-7H,8-13H2,1-4H3;1H
InChIKeyQHXDMBDGPJVSTL-UHFFFAOYSA-N
XLogP0.70
TPSA51.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 50.70
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111062149
1-ethyl-3-prop-2-ynyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 136921962
1-ethyl-3-propan-2-yl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111124903
1-[(4-chlorophenyl)methyl]-3-ethyl-1-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111294138
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111272680
1-ethyl-3-pentyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111129216
1-(2-pyridin-2-ylethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111062124
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
1-butyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111043370
1-butyl-3-ethyl-1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111159043
3-ethyl-1-[(2-methoxyphenyl)methyl]-1-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111282485
2-(2-methylprop-2-enyl)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111062156

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide (CID 111062122) is 1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide is CN(C)C(=NCCN1CCN(c2ncccn2)CC1)N(C)C.I.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide?
The InChIKey is QHXDMBDGPJVSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7.HI/c1-19(2)15(20(3)4)18-8-9-21-10-12-22(13-11-21)14-16-6-5-7-17-14;/h5-7H,8-13H2,1-4H3;1H.
What are the key properties of 1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide?
1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide has a molecular weight of 433.34 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111062122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).