5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine

C11H19BrN4O — CID 114071942

IUPAC5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCCOCC)c1Br
InChIInChI=1S/C11H19BrN4O/c1-3-13-10-9(12)11(16-8-15-10)14-6-5-7-17-4-2/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyIQTKARVIVQKOAL-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.51
Rot. Bonds8

About 5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine

5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 114071942) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID114071942
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCCOCC)c1Br
InChIInChI=1S/C11H19BrN4O/c1-3-13-10-9(12)11(16-8-15-10)14-6-5-7-17-4-2/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyIQTKARVIVQKOAL-UHFFFAOYSA-N
XLogP2.51
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]propoxy]ethanol
CID 114172031
5-bromo-6-N-ethyl-4-N-(4-propan-2-yloxybutyl)pyrimidine-4,6-diamine
CID 106014624
5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 66343219
4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80771977
N-(3-ethoxypropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80943910
5-bromo-4-N-(3-ethoxypropyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80773193
5-bromo-4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 114072576
4-bromo-N-(3-ethoxypropyl)-3,5-dimethylaniline
CID 107573608
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106343306
5-bromo-N,6-diethylpyrimidin-4-amine
CID 66298468
5-bromo-N-(2-ethoxyethyl)pyrimidin-4-amine
CID 66340987

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine (CID 114071942) is 5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1ncnc(NCCCOCC)c1Br.
What is the InChIKey of 5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is IQTKARVIVQKOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-3-13-10-9(12)11(16-8-15-10)14-6-5-7-17-4-2/h8H,3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine?
5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 303.20 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114071942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).