N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine

C12H22N4O — CID 63287245

IUPACN'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)c1cc(C)nc(C)n1
InChIInChI=1S/C12H22N4O/c1-10-9-12(15-11(2)14-10)16(6-4-5-13)7-8-17-3/h9H,4-8,13H2,1-3H3
InChIKeyGORJWRNDDDKLDB-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.90
Rot. Bonds7

About N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine

N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 63287245) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID63287245
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)c1cc(C)nc(C)n1
InChIInChI=1S/C12H22N4O/c1-10-9-12(15-11(2)14-10)16(6-4-5-13)7-8-17-3/h9H,4-8,13H2,1-3H3
InChIKeyGORJWRNDDDKLDB-UHFFFAOYSA-N
XLogP0.90
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-bis(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 80794923
N'-(2-methoxyethyl)-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549268
N'-(2,6-dimethylpyrimidin-4-yl)-N'-ethylethane-1,2-diamine
CID 63765131
N'-(2-methoxyethyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
CID 63287741
N'-(2-methoxyethyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 63287295
N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
CID 54939100
N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63287337
N'-(2-aminoethyl)-N'-(6-methoxy-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 66332280
2-[2-methoxyethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 113468505
3-[(2-chloro-6-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63286901
6-(2-aminoethoxy)-N-(2-methoxyethyl)-N,2-dimethylpyrimidin-4-amine
CID 121206123
N-(2-bromoethyl)-N-ethyl-2,6-dimethylpyrimidin-4-amine
CID 80673540

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine (CID 63287245) is N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine is COCCN(CCCN)c1cc(C)nc(C)n1.
What is the InChIKey of N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is GORJWRNDDDKLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-9-12(15-11(2)14-10)16(6-4-5-13)7-8-17-3/h9H,4-8,13H2,1-3H3.
What are the key properties of N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylpyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 63287245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).