2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

C15H20BrN7O — CID 19140633

IUPAC2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESNc1c(Nc2ccc(Br)cn2)ncnc1N1CCN(CCO)CC1
InChIInChI=1S/C15H20BrN7O/c16-11-1-2-12(18-9-11)21-14-13(17)15(20-10-19-14)23-5-3-22(4-6-23)7-8-24/h1-2,9-10,24H,3-8,17H2,(H,18,19,20,21)
InChIKeyPEDCILKNEHYZBJ-UHFFFAOYSA-N
MW394.28 g/mol
LogP1.07
Rot. Bonds5

About 2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 19140633) has the molecular formula C15H20BrN7O and a molecular weight of 394.28 g/mol. Its IUPAC name is 2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID19140633
Molecular FormulaC15H20BrN7O
Molecular Weight394.28 g/mol
Exact Mass393.09
IUPAC Name2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESNc1c(Nc2ccc(Br)cn2)ncnc1N1CCN(CCO)CC1
InChIInChI=1S/C15H20BrN7O/c16-11-1-2-12(18-9-11)21-14-13(17)15(20-10-19-14)23-5-3-22(4-6-23)7-8-24/h1-2,9-10,24H,3-8,17H2,(H,18,19,20,21)
InChIKeyPEDCILKNEHYZBJ-UHFFFAOYSA-N
XLogP1.07
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]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-[4-(5-amino-6-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19140663
2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140732
2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140604
2-[4-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140744
N'-[5-amino-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19140675
2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137084
4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 19143888
2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137446
ethyl 4-[[5-amino-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzoate
CID 19140626
4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137129
2-[4-[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140747
N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066616

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 19140633) is 2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is Nc1c(Nc2ccc(Br)cn2)ncnc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is PEDCILKNEHYZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN7O/c16-11-1-2-12(18-9-11)21-14-13(17)15(20-10-19-14)23-5-3-22(4-6-23)7-8-24/h1-2,9-10,24H,3-8,17H2,(H,18,19,20,21).
What are the key properties of 2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 394.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 19140633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).