N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine

C12H22N4O — CID 112639133

IUPACN'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)c1nccc(OCC)n1
InChIInChI=1S/C12H22N4O/c1-4-13-9-10-16(5-2)12-14-8-7-11(15-12)17-6-3/h7-8,13H,4-6,9-10H2,1-3H3
InChIKeyNXWZKVGDJSWFCP-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.31
Rot. Bonds8

About N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine

N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine (PubChem CID 112639133) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine
PubChem CID112639133
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)c1nccc(OCC)n1
InChIInChI=1S/C12H22N4O/c1-4-13-9-10-16(5-2)12-14-8-7-11(15-12)17-6-3/h7-8,13H,4-6,9-10H2,1-3H3
InChIKeyNXWZKVGDJSWFCP-UHFFFAOYSA-N
XLogP1.31
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639135
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
N-butyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 78818754
N-butyl-N-(2-chloroethyl)-4-ethoxypyrimidin-2-amine
CID 112639176
N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 104606633
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 112635403
3-[(4-ethoxypyrimidin-2-yl)-propan-2-ylamino]propanoic acid
CID 112635997
N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
CID 83064976
methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
CID 112638969
N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 114134754
N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 112639352
2-N-(4-ethoxypyrimidin-2-yl)-2-N-methylpropane-1,2-diamine
CID 104556767

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine?
The IUPAC name of N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine (CID 112639133) is N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine is CCNCCN(CC)c1nccc(OCC)n1.
What is the InChIKey of N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine?
The InChIKey is NXWZKVGDJSWFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-13-9-10-16(5-2)12-14-8-7-11(15-12)17-6-3/h7-8,13H,4-6,9-10H2,1-3H3.
What are the key properties of N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine?
N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine is sourced from PubChem (CID 112639133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).