1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide

C16H26ClIN4 — CID 75418967

IUPAC1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide
SMILESCCN(CC)C(CNC1=NCCCN1)c1ccccc1Cl.I
InChIInChI=1S/C16H25ClN4.HI/c1-3-21(4-2)15(13-8-5-6-9-14(13)17)12-20-16-18-10-7-11-19-16;/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H2,18,19,20);1H
InChIKeyMJIBUXNHKXASNT-UHFFFAOYSA-N
MW436.77 g/mol
LogP3.28
Rot. Bonds6

About 1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide

1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide (PubChem CID 75418967) has the molecular formula C16H26ClIN4 and a molecular weight of 436.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide
PubChem CID75418967
Molecular FormulaC16H26ClIN4
Molecular Weight436.77 g/mol
Exact Mass436.09
IUPAC Name1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide
SMILESCCN(CC)C(CNC1=NCCCN1)c1ccccc1Cl.I
InChIInChI=1S/C16H25ClN4.HI/c1-3-21(4-2)15(13-8-5-6-9-14(13)17)12-20-16-18-10-7-11-19-16;/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H2,18,19,20);1H
InChIKeyMJIBUXNHKXASNT-UHFFFAOYSA-N
XLogP3.28
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.77
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-1-phenyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide
CID 110913651
N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110928130
N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-thiophen-3-ylethane-1,2-diamine
CID 110915302
2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine
CID 110915360
N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913758
2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide
CID 110913703
1-(2-chlorophenyl)-N,N-diethyl-N'-octylethane-1,2-diamine
CID 110827062
N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111824393
tert-butyl N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]carbamate
CID 43044946
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2H-triazole-4-carboxamide
CID 51595080
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide?
The IUPAC name of 1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide (CID 75418967) is 1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide.
What is the SMILES notation for 1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide?
The canonical SMILES for 1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide is CCN(CC)C(CNC1=NCCCN1)c1ccccc1Cl.I.
What is the InChIKey of 1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide?
The InChIKey is MJIBUXNHKXASNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4.HI/c1-3-21(4-2)15(13-8-5-6-9-14(13)17)12-20-16-18-10-7-11-19-16;/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide?
1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide has a molecular weight of 436.77 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide is sourced from PubChem (CID 75418967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).