N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine

C14H26N4O2 — CID 115974987

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCOc1cc(C)nc(NCCN(C)CCOC)n1
InChIInChI=1S/C14H26N4O2/c1-5-9-20-13-11-12(2)16-14(17-13)15-6-7-18(3)8-10-19-4/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyYYFVTTDOGYQCMU-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.56
Rot. Bonds10

About N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 115974987) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
PubChem CID115974987
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCOc1cc(C)nc(NCCN(C)CCOC)n1
InChIInChI=1S/C14H26N4O2/c1-5-9-20-13-11-12(2)16-14(17-13)15-6-7-18(3)8-10-19-4/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyYYFVTTDOGYQCMU-UHFFFAOYSA-N
XLogP1.56
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine (CID 115974987) is N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine is CCCOc1cc(C)nc(NCCN(C)CCOC)n1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is YYFVTTDOGYQCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-9-20-13-11-12(2)16-14(17-13)15-6-7-18(3)8-10-19-4/h11H,5-10H2,1-4H3,(H,15,16,17).
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 282.39 g/mol, XLogP of 1.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115974987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).