2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol

C9H13BrN4O — CID 80811319

IUPAC2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol
SMILESNc1ncc(Br)c(N(CCO)C2CC2)n1
InChIInChI=1S/C9H13BrN4O/c10-7-5-12-9(11)13-8(7)14(3-4-15)6-1-2-6/h5-6,15H,1-4H2,(H2,11,12,13)
InChIKeyIWKNKIAUHHHSMI-UHFFFAOYSA-N
MW273.13 g/mol
LogP0.78
Rot. Bonds4

About 2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol

2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol (PubChem CID 80811319) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol
PubChem CID80811319
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol
SMILESNc1ncc(Br)c(N(CCO)C2CC2)n1
InChIInChI=1S/C9H13BrN4O/c10-7-5-12-9(11)13-8(7)14(3-4-15)6-1-2-6/h5-6,15H,1-4H2,(H2,11,12,13)
InChIKeyIWKNKIAUHHHSMI-UHFFFAOYSA-N
XLogP0.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875751
2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol
CID 80790255
2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol
CID 65418206
3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80809861
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904782
2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
CID 114836476
2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565
2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675205
5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80820735
2-[cyclopropyl-(3,5-dichloro-2-pyridinyl)amino]ethanol
CID 61146210
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859445

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol?
The IUPAC name of 2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol (CID 80811319) is 2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol is Nc1ncc(Br)c(N(CCO)C2CC2)n1.
What is the InChIKey of 2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol?
The InChIKey is IWKNKIAUHHHSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c10-7-5-12-9(11)13-8(7)14(3-4-15)6-1-2-6/h5-6,15H,1-4H2,(H2,11,12,13).
What are the key properties of 2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol?
2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol has a molecular weight of 273.13 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol is sourced from PubChem (CID 80811319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).