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

C11H19BrN4O — CID 114072323

IUPAC5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCCN(CC)c1ncnc(NC)c1Br
InChIInChI=1S/C11H19BrN4O/c1-4-16(6-7-17-5-2)11-9(12)10(13-3)14-8-15-11/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyWNRGNIHNFLFCFW-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.14
Rot. Bonds7

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

5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 114072323) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID114072323
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCCN(CC)c1ncnc(NC)c1Br
InChIInChI=1S/C11H19BrN4O/c1-4-16(6-7-17-5-2)11-9(12)10(13-3)14-8-15-11/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyWNRGNIHNFLFCFW-UHFFFAOYSA-N
XLogP2.14
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.14
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

4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80834415
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine
CID 80834161
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
5-bromo-4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 114072576
6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine
CID 63698064
4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80795868
5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690941
4-N,6-N,5-triethyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80808569
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine
CID 63697339
6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 80834417
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
CID 80637533

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 114072323) is 5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine is CCOCCN(CC)c1ncnc(NC)c1Br.
What is the InChIKey of 5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is WNRGNIHNFLFCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-4-16(6-7-17-5-2)11-9(12)10(13-3)14-8-15-11/h8H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine?
5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 303.20 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 114072323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).