5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine

C8H12BrN3O — CID 66340987

IUPAC5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine
SMILESCCOCCNc1ncncc1Br
InChIInChI=1S/C8H12BrN3O/c1-2-13-4-3-11-8-7(9)5-10-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyZDLNRQNIOUSBRP-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.69
Rot. Bonds5

About 5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine

5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine (PubChem CID 66340987) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine
PubChem CID66340987
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine
SMILESCCOCCNc1ncncc1Br
InChIInChI=1S/C8H12BrN3O/c1-2-13-4-3-11-8-7(9)5-10-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyZDLNRQNIOUSBRP-UHFFFAOYSA-N
XLogP1.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 66343219
5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine
CID 103766959
5-bromo-N-[3-(2-chloroethoxy)propyl]pyrimidin-4-amine
CID 106306461
N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 66342316
N-(5-bromopyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 66342800
N-(5-bromopyrimidin-4-yl)-N'-butan-2-yl-N'-methylethane-1,2-diamine
CID 103779960
2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide
CID 66340107
tert-butyl N-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]carbamate
CID 115714879
5-bromo-N-(3-methylpentan-3-yl)pyrimidin-4-amine
CID 106329876
5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 66341943
5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66339705
5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 114071942

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine (CID 66340987) is 5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine is CCOCCNc1ncncc1Br.
What is the InChIKey of 5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine?
The InChIKey is ZDLNRQNIOUSBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-2-13-4-3-11-8-7(9)5-10-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine?
5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine has a molecular weight of 246.11 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 66340987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).