N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine

C13H24N4O2 — CID 43552173

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1c(OC)ncnc1OC
InChIInChI=1S/C13H24N4O2/c1-5-17(6-2)8-7-14-9-11-12(18-3)15-10-16-13(11)19-4/h10,14H,5-9H2,1-4H3
InChIKeyGFPLBFRUUAYRJL-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds9

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 43552173) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
PubChem CID43552173
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1c(OC)ncnc1OC
InChIInChI=1S/C13H24N4O2/c1-5-17(6-2)8-7-14-9-11-12(18-3)15-10-16-13(11)19-4/h10,14H,5-9H2,1-4H3
InChIKeyGFPLBFRUUAYRJL-UHFFFAOYSA-N
XLogP0.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
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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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine (CID 43552173) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCc1c(OC)ncnc1OC.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is GFPLBFRUUAYRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-17(6-2)8-7-14-9-11-12(18-3)15-10-16-13(11)19-4/h10,14H,5-9H2,1-4H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 268.36 g/mol, XLogP of 0.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 43552173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).