2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol

C11H17BrN4O — CID 102875751

IUPAC2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
SMILESCNc1ncc(Br)c(N(CCO)C2CCC2)n1
InChIInChI=1S/C11H17BrN4O/c1-13-11-14-7-9(12)10(15-11)16(5-6-17)8-3-2-4-8/h7-8,17H,2-6H2,1H3,(H,13,14,15)
InChIKeyMPSBQRCFZYGJPH-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.63
Rot. Bonds5

About 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol

2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol (PubChem CID 102875751) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
PubChem CID102875751
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
SMILESCNc1ncc(Br)c(N(CCO)C2CCC2)n1
InChIInChI=1S/C11H17BrN4O/c1-13-11-14-7-9(12)10(15-11)16(5-6-17)8-3-2-4-8/h7-8,17H,2-6H2,1H3,(H,13,14,15)
InChIKeyMPSBQRCFZYGJPH-UHFFFAOYSA-N
XLogP1.63
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810933
2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80811319
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol
CID 80811147
2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675205
5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80775626
2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810290
5-bromo-2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80838183
2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80811535
5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine
CID 80776307
2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol
CID 65418206
2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
CID 114836476
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904782

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol (CID 102875751) is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol is CNc1ncc(Br)c(N(CCO)C2CCC2)n1.
What is the InChIKey of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol?
The InChIKey is MPSBQRCFZYGJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-13-11-14-7-9(12)10(15-11)16(5-6-17)8-3-2-4-8/h7-8,17H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol?
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol has a molecular weight of 301.19 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102875751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).