2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol

C11H19BrN4O — CID 114072039

IUPAC2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1ncnc(NCC)c1Br
InChIInChI=1S/C11H19BrN4O/c1-3-5-16(6-7-17)11-9(12)10(13-4-2)14-8-15-11/h8,17H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyZISWKRYEFJWBNJ-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.88
Rot. Bonds7

About 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol

2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol (PubChem CID 114072039) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol
PubChem CID114072039
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1ncnc(NCC)c1Br
InChIInChI=1S/C11H19BrN4O/c1-3-5-16(6-7-17)11-9(12)10(13-4-2)14-8-15-11/h8,17H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyZISWKRYEFJWBNJ-UHFFFAOYSA-N
XLogP1.88
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406
2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19135193
2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol
CID 107495178
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
CID 80771706
2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
5-bromo-4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 114072576
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 104506524
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 114072094
2-[3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]propoxy]ethanol
CID 114172031
4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80757752
5-bromo-N,6-diethylpyrimidin-4-amine
CID 66298468
4-N,6-N-diethyl-5-nitro-4-N-propylpyrimidine-4,6-diamine
CID 80773861

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol?
The IUPAC name of 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol (CID 114072039) is 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol.
What is the SMILES notation for 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol?
The canonical SMILES for 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol is CCCN(CCO)c1ncnc(NCC)c1Br.
What is the InChIKey of 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol?
The InChIKey is ZISWKRYEFJWBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-3-5-16(6-7-17)11-9(12)10(13-4-2)14-8-15-11/h8,17H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol?
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol has a molecular weight of 303.20 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol is sourced from PubChem (CID 114072039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).