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

C13H24N4O2 — CID 112639113

IUPACN-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCOc1ccnc(N(C)CCNCCOC)n1
InChIInChI=1S/C13H24N4O2/c1-4-10-19-12-5-6-15-13(16-12)17(2)9-7-14-8-11-18-3/h5-6,14H,4,7-11H2,1-3H3
InChIKeyRYSBMQPISNACMZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.94
Rot. Bonds10

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

N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 112639113) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
PubChem CID112639113
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCOc1ccnc(N(C)CCNCCOC)n1
InChIInChI=1S/C13H24N4O2/c1-4-10-19-12-5-6-15-13(16-12)17(2)9-7-14-8-11-18-3/h5-6,14H,4,7-11H2,1-3H3
InChIKeyRYSBMQPISNACMZ-UHFFFAOYSA-N
XLogP0.94
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.94
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-(2-methoxyethyl)-N'-methyl-N'-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 62959481
N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine
CID 112639376
methyl 4-[methyl-(4-propoxypyrimidin-2-yl)amino]butanoate
CID 112638953
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 62769885
N-ethyl-N'-methyl-N'-(4-methyl-6-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112635405
N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine
CID 115975387
N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 63872311
N-(2-methoxyethyl)-N'-methyl-N'-pyridin-2-ylethane-1,2-diamine
CID 62588167
N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 62586031
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62573488
N-(2-chloroethyl)-4-propoxy-N-propylpyrimidin-2-amine
CID 112639203
methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
CID 112638969

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine (CID 112639113) is N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine is CCCOc1ccnc(N(C)CCNCCOC)n1.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is RYSBMQPISNACMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-10-19-12-5-6-15-13(16-12)17(2)9-7-14-8-11-18-3/h5-6,14H,4,7-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 268.36 g/mol, XLogP of 0.94, 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-propoxypyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 112639113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).