2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol

C13H14BrN3O — CID 5332859

IUPAC2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)
InChIKeyDUKPGOOUJNUIOI-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.62
Rot. Bonds4

About 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol

2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 5332859) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
PubChem CID5332859
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)
InChIKeyDUKPGOOUJNUIOI-UHFFFAOYSA-N
XLogP2.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-({2-[(4-Bromophenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride
CID 2952991
N-(4-bromobenzyl)-6-methylpyridin-2-amine
CID 975979
2-[(6-Bromoquinazolin-4-yl)amino]ethanol
CID 647709
2-[[2-(4-Bromoanilino)-4-quinazolinyl]amino]ethanol;hydrochloride
CID 2203009
4-[2-[[2-(4-Bromo-2,5-difluorophenyl)-6-methyl-4-pyrimidinyl]amino]ethyl]-2(1H)-pyridinone
CID 10319993
2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 57393996
4-[2-(4-Bromo-phenyl)-6-methyl-pyrimidin-4-yl]-morpholine
CID 755177
N-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydroxylamine
CID 755301
2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 57390457
(2R)-3-[[2-(4-bromo-2,5-difluorophenyl)-6-ethylpyrimidin-4-yl]amino]propane-1,2-diol
CID 66554041
4-[2-[[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
CID 70682469
(2R)-3-[[2-(4-bromo-3-fluorophenyl)-6-ethylpyrimidin-4-yl]amino]propane-1,2-diol
CID 70684553

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol (CID 5332859) is 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol is Cc1cc(NCCO)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is DUKPGOOUJNUIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol has a molecular weight of 308.18 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 5332859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).