N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine

C11H20N4O2 — CID 115355568

IUPACN'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)c1nc(OC)cc(OC)n1
InChIInChI=1S/C11H20N4O2/c1-5-12-6-7-15(2)11-13-9(16-3)8-10(14-11)17-4/h8,12H,5-7H2,1-4H3
InChIKeyQHPFDXHAQBRXOL-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.54
Rot. Bonds7

About N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine

N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine (PubChem CID 115355568) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
PubChem CID115355568
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)c1nc(OC)cc(OC)n1
InChIInChI=1S/C11H20N4O2/c1-5-12-6-7-15(2)11-13-9(16-3)8-10(14-11)17-4/h8,12H,5-7H2,1-4H3
InChIKeyQHPFDXHAQBRXOL-UHFFFAOYSA-N
XLogP0.54
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 112635403
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355307
N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112635405
3-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]propanenitrile
CID 115354838
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 166233772
2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 114242641
N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine
CID 115355574
N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 62586031
N-ethyl-N'-methyl-N'-quinazolin-2-ylethane-1,2-diamine
CID 114789767
4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 171691462

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine (CID 115355568) is N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine is CCNCCN(C)c1nc(OC)cc(OC)n1.
What is the InChIKey of N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is QHPFDXHAQBRXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-12-6-7-15(2)11-13-9(16-3)8-10(14-11)17-4/h8,12H,5-7H2,1-4H3.
What are the key properties of N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine?
N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115355568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).