[1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol

C15H16BrN3O — CID 116976620

IUPAC[1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ncc(-c3ccccc3Br)cn2)C1
InChIInChI=1S/C15H16BrN3O/c16-14-4-2-1-3-13(14)12-7-17-15(18-8-12)19-6-5-11(9-19)10-20/h1-4,7-8,11,20H,5-6,9-10H2
InChIKeyBRYNLZIACNDOEX-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.72
Rot. Bonds3

About [1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol

[1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol (PubChem CID 116976620) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is [1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
PubChem CID116976620
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name[1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ncc(-c3ccccc3Br)cn2)C1
InChIInChI=1S/C15H16BrN3O/c16-14-4-2-1-3-13(14)12-7-17-15(18-8-12)19-6-5-11(9-19)10-20/h1-4,7-8,11,20H,5-6,9-10H2
InChIKeyBRYNLZIACNDOEX-UHFFFAOYSA-N
XLogP2.72
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 116976618
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407883
[3-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanol
CID 117151047
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
[1-(5-cyclobutylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 116976106
ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol
CID 155321926
1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 117224077
N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 116976754
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115
2-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802313
[2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
CID 117153672
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol (CID 116976620) is [1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol is OCC1CCN(c2ncc(-c3ccccc3Br)cn2)C1.
What is the InChIKey of [1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol?
The InChIKey is BRYNLZIACNDOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-14-4-2-1-3-13(14)12-7-17-15(18-8-12)19-6-5-11(9-19)10-20/h1-4,7-8,11,20H,5-6,9-10H2.
What are the key properties of [1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol?
[1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol has a molecular weight of 334.22 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 116976620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).