4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol

C14H14BrN3O — CID 106196686

IUPAC4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol
SMILESOc1ccc(CNc2cc(Br)nc(C3CC3)n2)cc1
InChIInChI=1S/C14H14BrN3O/c15-12-7-13(18-14(17-12)10-3-4-10)16-8-9-1-5-11(19)6-2-9/h1-2,5-7,10,19H,3-4,8H2,(H,16,17,18)
InChIKeyILAMMHVONAHSLM-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.43
Rot. Bonds4

About 4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol

4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol (PubChem CID 106196686) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol
PubChem CID106196686
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol
SMILESOc1ccc(CNc2cc(Br)nc(C3CC3)n2)cc1
InChIInChI=1S/C14H14BrN3O/c15-12-7-13(18-14(17-12)10-3-4-10)16-8-9-1-5-11(19)6-2-9/h1-2,5-7,10,19H,3-4,8H2,(H,16,17,18)
InChIKeyILAMMHVONAHSLM-UHFFFAOYSA-N
XLogP3.43
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol with MolForge

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Related Compounds

3-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106137350
6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine
CID 114137347
4-[[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]methyl]phenol
CID 143258960
2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
CID 80961888
6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 106262382
2-cyclopropyl-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 80964280
4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80959171
N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 114133171
2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456429
N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463214
6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 103879876
4-N-[(4-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80960032

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol (CID 106196686) is 4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol is Oc1ccc(CNc2cc(Br)nc(C3CC3)n2)cc1.
What is the InChIKey of 4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol?
The InChIKey is ILAMMHVONAHSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-12-7-13(18-14(17-12)10-3-4-10)16-8-9-1-5-11(19)6-2-9/h1-2,5-7,10,19H,3-4,8H2,(H,16,17,18).
What are the key properties of 4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol?
4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol has a molecular weight of 320.19 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-bromo-2-cyclopropylpyrimidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 106196686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).