(5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone

C12H16BrN3O2 — CID 70896633

IUPAC(5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CC(O)CCN1C(=O)c1ncc(Br)cn1
InChIInChI=1S/C12H16BrN3O2/c1-12(2)5-9(17)3-4-16(12)11(18)10-14-6-8(13)7-15-10/h6-7,9,17H,3-5H2,1-2H3
InChIKeyFSIRYGUMGIDWOX-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.61
Rot. Bonds1

About (5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone

(5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone (PubChem CID 70896633) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is (5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
PubChem CID70896633
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name(5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CC(O)CCN1C(=O)c1ncc(Br)cn1
InChIInChI=1S/C12H16BrN3O2/c1-12(2)5-9(17)3-4-16(12)11(18)10-14-6-8(13)7-15-10/h6-7,9,17H,3-5H2,1-2H3
InChIKeyFSIRYGUMGIDWOX-UHFFFAOYSA-N
XLogP1.61
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-tert-butylcarbamic acid
CID 69811268
[(2S)-1-[4-(5-bromopyrimidin-2-yl)oxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-tert-butylcarbamic acid
CID 69813022
(5-Bromopyrimidin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 70896546
4-(5-Bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid
CID 134262903
1-[4-(5-Bromopyrimidin-2-yl)piperazin-1-yl]-4-hydroxypentan-1-one
CID 79204212
1-(4-Hydroxy-3-methylpiperidin-1-yl)-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 114679939
(2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one
CID 136585183
N-[(5-bromopyrimidin-2-yl)methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxamide
CID 138020287

Frequently Asked Questions

What is the IUPAC name of (5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone (CID 70896633) is (5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone is CC1(C)CC(O)CCN1C(=O)c1ncc(Br)cn1.
What is the InChIKey of (5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
The InChIKey is FSIRYGUMGIDWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-12(2)5-9(17)3-4-16(12)11(18)10-14-6-8(13)7-15-10/h6-7,9,17H,3-5H2,1-2H3.
What are the key properties of (5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone?
(5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone has a molecular weight of 314.18 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 70896633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).