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

C15H16BrN3O — CID 116976636

IUPAC[1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1ncc(-c2cccc(Br)c2)cn1
InChIInChI=1S/C15H16BrN3O/c16-13-4-1-3-11(7-13)12-8-17-15(18-9-12)19-6-2-5-14(19)10-20/h1,3-4,7-9,14,20H,2,5-6,10H2
InChIKeyATAOKQJNXHJXPH-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.87
Rot. Bonds3

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

[1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 116976636) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is [1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID116976636
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name[1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1ncc(-c2cccc(Br)c2)cn1
InChIInChI=1S/C15H16BrN3O/c16-13-4-1-3-11(7-13)12-8-17-15(18-9-12)19-6-2-5-14(19)10-20/h1,3-4,7-9,14,20H,2,5-6,10H2
InChIKeyATAOKQJNXHJXPH-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521
3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 63873222
[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279108
5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine
CID 130534027
[1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol
CID 89439842
[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 113388101
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689
[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430
2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine
CID 116649552
5-bromo-2-[2-(chloromethyl)piperidin-1-yl]pyrimidine
CID 63873826
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-2-yl]methanol
CID 106998436

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 116976636) is [1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1ncc(-c2cccc(Br)c2)cn1.
What is the InChIKey of [1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is ATAOKQJNXHJXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-13-4-1-3-11(7-13)12-8-17-15(18-9-12)19-6-2-5-14(19)10-20/h1,3-4,7-9,14,20H,2,5-6,10H2.
What are the key properties of [1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 334.22 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 116976636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).