1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol

C12H10BrCl2N3O — CID 12062156

IUPAC1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol
SMILESOC(CNc1nc(Cl)cc(Cl)n1)c1ccc(Br)cc1
InChIInChI=1S/C12H10BrCl2N3O/c13-8-3-1-7(2-4-8)9(19)6-16-12-17-10(14)5-11(15)18-12/h1-5,9,19H,6H2,(H,16,17,18)
InChIKeyRDUOBEWHPPRLNM-UHFFFAOYSA-N
MW363.04 g/mol
LogP3.69
Rot. Bonds4

About 1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol

1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol (PubChem CID 12062156) has the molecular formula C12H10BrCl2N3O and a molecular weight of 363.04 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol
PubChem CID12062156
Molecular FormulaC12H10BrCl2N3O
Molecular Weight363.04 g/mol
Exact Mass360.94
IUPAC Name1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol
SMILESOC(CNc1nc(Cl)cc(Cl)n1)c1ccc(Br)cc1
InChIInChI=1S/C12H10BrCl2N3O/c13-8-3-1-7(2-4-8)9(19)6-16-12-17-10(14)5-11(15)18-12/h1-5,9,19H,6H2,(H,16,17,18)
InChIKeyRDUOBEWHPPRLNM-UHFFFAOYSA-N
XLogP3.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol (CID 12062156) is 1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol is OC(CNc1nc(Cl)cc(Cl)n1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol?
The InChIKey is RDUOBEWHPPRLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O/c13-8-3-1-7(2-4-8)9(19)6-16-12-17-10(14)5-11(15)18-12/h1-5,9,19H,6H2,(H,16,17,18).
What are the key properties of 1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol?
1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol has a molecular weight of 363.04 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[(4,6-dichloropyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 12062156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).