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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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).