[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol

C12H11BrClN3O — CID 106197115

IUPAC[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNc2nc(Cl)ncc2Br)c1
InChIInChI=1S/C12H11BrClN3O/c13-10-6-16-12(14)17-11(10)15-5-8-2-1-3-9(4-8)7-18/h1-4,6,18H,5,7H2,(H,15,16,17)
InChIKeyUIOFTIPOJCMSDQ-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.00
Rot. Bonds4

About [3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol

[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol (PubChem CID 106197115) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is [3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
PubChem CID106197115
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNc2nc(Cl)ncc2Br)c1
InChIInChI=1S/C12H11BrClN3O/c13-10-6-16-12(14)17-11(10)15-5-8-2-1-3-9(4-8)7-18/h1-4,6,18H,5,7H2,(H,15,16,17)
InChIKeyUIOFTIPOJCMSDQ-UHFFFAOYSA-N
XLogP3.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114836485
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 87529176
N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 79632289
[3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197100
[3-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231800
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
5-bromo-2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 79072897
5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 79073678
N-[(3-aminophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 58467912
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231936
[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 65419281

Frequently Asked Questions

What is the IUPAC name of [3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol (CID 106197115) is [3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol is OCc1cccc(CNc2nc(Cl)ncc2Br)c1.
What is the InChIKey of [3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol?
The InChIKey is UIOFTIPOJCMSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c13-10-6-16-12(14)17-11(10)15-5-8-2-1-3-9(4-8)7-18/h1-4,6,18H,5,7H2,(H,15,16,17).
What are the key properties of [3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol?
[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol has a molecular weight of 328.60 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 106197115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).