4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine

C13H24N4O — CID 80834415

IUPAC4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCCN(CC)c1ncnc(NC)c1CC
InChIInChI=1S/C13H24N4O/c1-5-11-12(14-4)15-10-16-13(11)17(6-2)8-9-18-7-3/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyKNOGMBHVJHUAQW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.94
Rot. Bonds8

About 4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine

4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80834415) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80834415
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCCN(CC)c1ncnc(NC)c1CC
InChIInChI=1S/C13H24N4O/c1-5-11-12(14-4)15-10-16-13(11)17(6-2)8-9-18-7-3/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyKNOGMBHVJHUAQW-UHFFFAOYSA-N
XLogP1.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 114072323
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine
CID 80834161
4-N,6-N,5-triethyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80808569
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80833920
N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80909764
N-ethyl-2-[ethyl-[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80804836
4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80771977
6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine
CID 63698064
5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80778803
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-propylamino]-N-methylacetamide
CID 80806342
4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80774359
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine (CID 80834415) is 4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine is CCOCCN(CC)c1ncnc(NC)c1CC.
What is the InChIKey of 4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is KNOGMBHVJHUAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-11-12(14-4)15-10-16-13(11)17(6-2)8-9-18-7-3/h10H,5-9H2,1-4H3,(H,14,15,16).
What are the key properties of 4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80834415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).