2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol

C14H16BrN3O3 — CID 133307863

IUPAC2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)CNc2ncc(Br)cn2)c1
InChIInChI=1S/C14H16BrN3O3/c1-20-11-3-9(4-12(5-11)21-2)13(19)8-18-14-16-6-10(15)7-17-14/h3-7,13,19H,8H2,1-2H3,(H,16,17,18)
InChIKeyZAEBFJIOUHHCJZ-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.40
Rot. Bonds6

About 2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol

2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol (PubChem CID 133307863) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol
PubChem CID133307863
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)CNc2ncc(Br)cn2)c1
InChIInChI=1S/C14H16BrN3O3/c1-20-11-3-9(4-12(5-11)21-2)13(19)8-18-14-16-6-10(15)7-17-14/h3-7,13,19H,8H2,1-2H3,(H,16,17,18)
InChIKeyZAEBFJIOUHHCJZ-UHFFFAOYSA-N
XLogP2.40
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyrimidine-5-carboxylic acid
CID 146134510
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411
1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 157085885
2-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol
CID 133307922
3-amino-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 64541504
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
CID 133307842
1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133372946
2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
CID 111916706
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115
1-(3,5-dimethoxyphenyl)-2-[(3-nitro-2-pyridinyl)amino]ethanol
CID 133307479
4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 66106214

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol (CID 133307863) is 2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol is COc1cc(OC)cc(C(O)CNc2ncc(Br)cn2)c1.
What is the InChIKey of 2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol?
The InChIKey is ZAEBFJIOUHHCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-20-11-3-9(4-12(5-11)21-2)13(19)8-18-14-16-6-10(15)7-17-14/h3-7,13,19H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol?
2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol has a molecular weight of 354.20 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-2-yl)amino]-1-(3,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 133307863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).