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

C6H9BrN4O — CID 80766317

IUPAC2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
SMILESNc1ncc(Br)c(NCCO)n1
InChIInChI=1S/C6H9BrN4O/c7-4-3-10-6(8)11-5(4)9-1-2-12/h3,12H,1-2H2,(H3,8,9,10,11)
InChIKeyVSYHNQPKHXVDQN-UHFFFAOYSA-N
MW233.07 g/mol
LogP0.23
Rot. Bonds3

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

2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol (PubChem CID 80766317) has the molecular formula C6H9BrN4O and a molecular weight of 233.07 g/mol. Its IUPAC name is 2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
PubChem CID80766317
Molecular FormulaC6H9BrN4O
Molecular Weight233.07 g/mol
Exact Mass232.00
IUPAC Name2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
SMILESNc1ncc(Br)c(NCCO)n1
InChIInChI=1S/C6H9BrN4O/c7-4-3-10-6(8)11-5(4)9-1-2-12/h3,12H,1-2H2,(H3,8,9,10,11)
InChIKeyVSYHNQPKHXVDQN-UHFFFAOYSA-N
XLogP0.23
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366526
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
3-[(2-amino-5-bromopyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80819569
3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179448
2-[[2-(4-aminoanilino)-5-bromopyrimidin-4-yl]amino]ethanol
CID 143697332
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248797
5-bromo-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827758
5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791970
3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358212
1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159495
5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106900943
5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
CID 80784182

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol (CID 80766317) is 2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol is Nc1ncc(Br)c(NCCO)n1.
What is the InChIKey of 2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol?
The InChIKey is VSYHNQPKHXVDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4O/c7-4-3-10-6(8)11-5(4)9-1-2-12/h3,12H,1-2H2,(H3,8,9,10,11).
What are the key properties of 2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol?
2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol has a molecular weight of 233.07 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 80766317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).