3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol

C11H10BrN3O — CID 166230475

IUPAC3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol
SMILESOc1cccc(CNc2ncc(Br)cn2)c1
InChIInChI=1S/C11H10BrN3O/c12-9-6-14-11(15-7-9)13-5-8-2-1-3-10(16)4-8/h1-4,6-7,16H,5H2,(H,13,14,15)
InChIKeyCFVRRYHPWXBMMS-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.56
Rot. Bonds3

About 3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol

3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol (PubChem CID 166230475) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol
PubChem CID166230475
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol
SMILESOc1cccc(CNc2ncc(Br)cn2)c1
InChIInChI=1S/C11H10BrN3O/c12-9-6-14-11(15-7-9)13-5-8-2-1-3-10(16)4-8/h1-4,6-7,16H,5H2,(H,13,14,15)
InChIKeyCFVRRYHPWXBMMS-UHFFFAOYSA-N
XLogP2.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 63871875
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
5-bromo-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 63873584
3-[2-(pyrimidin-2-ylamino)ethyl]phenol
CID 133291508
3-[[(2-chloro-5-methyl-3-pyridinyl)amino]methyl]phenol
CID 114050770
3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol
CID 133482297
3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
CID 82674382
3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 19627574
N-[[3-(aminomethyl)phenyl]methyl]-5-iodopyrimidin-2-amine
CID 116648248
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
CID 122168784

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol?
The IUPAC name of 3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol (CID 166230475) is 3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol is Oc1cccc(CNc2ncc(Br)cn2)c1.
What is the InChIKey of 3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol?
The InChIKey is CFVRRYHPWXBMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-9-6-14-11(15-7-9)13-5-8-2-1-3-10(16)4-8/h1-4,6-7,16H,5H2,(H,13,14,15).
What are the key properties of 3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol?
3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol has a molecular weight of 280.12 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol is sourced from PubChem (CID 166230475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).