(2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one

C14H20BrN3O2 — CID 136585183

IUPAC(2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)[C@@H](O)C(=O)N1CCCC(c2ncc(Br)cn2)C1
InChIInChI=1S/C14H20BrN3O2/c1-9(2)12(19)14(20)18-5-3-4-10(8-18)13-16-6-11(15)7-17-13/h6-7,9-10,12,19H,3-5,8H2,1-2H3/t10?,12-/m1/s1
InChIKeyVMRHZXNVORYCTF-TVKKRMFBSA-N
MW342.24 g/mol
LogP1.96
Rot. Bonds3

About (2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one

(2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one (PubChem CID 136585183) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is (2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one
PubChem CID136585183
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name(2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)[C@@H](O)C(=O)N1CCCC(c2ncc(Br)cn2)C1
InChIInChI=1S/C14H20BrN3O2/c1-9(2)12(19)14(20)18-5-3-4-10(8-18)13-16-6-11(15)7-17-13/h6-7,9-10,12,19H,3-5,8H2,1-2H3/t10?,12-/m1/s1
InChIKeyVMRHZXNVORYCTF-TVKKRMFBSA-N
XLogP1.96
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one with MolForge

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Related Compounds

propyl (3S)-3-(5-bromopyrimidin-2-yl)piperidine-1-carboxylate
CID 164637864
(2R)-1-[4-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one
CID 145882524
2-[1-(5-Bromopyrimidin-2-yl)piperidin-4-yl]-2-hydroxyacetamide
CID 120430960
(5-Bromopyrimidin-2-yl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 70896546
(5-Bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 70896633
1-[(6R)-4-(5-bromopyrimidin-2-yl)-2-cyclobutyl-6-methylpiperazin-1-yl]-2-hydroxyethanone
CID 145171862
1-[4-(5-Bromopyrimidin-2-yl)piperazin-1-yl]-2-methoxybutan-1-one
CID 47459493
1-[4-(5-Bromopyrimidin-2-yl)piperazin-1-yl]-4-hydroxypentan-1-one
CID 79204212
(2S)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methoxybutan-1-one
CID 94216254
(2R)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methoxybutan-1-one
CID 94216255
1-(5-Bromopyrimidin-2-yl)-4-methylpiperidin-3-ol
CID 103896112
2-Hydroxy-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110269395

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one?
The IUPAC name of (2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one (CID 136585183) is (2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for (2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one?
The canonical SMILES for (2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one is CC(C)[C@@H](O)C(=O)N1CCCC(c2ncc(Br)cn2)C1.
What is the InChIKey of (2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one?
The InChIKey is VMRHZXNVORYCTF-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-9(2)12(19)14(20)18-5-3-4-10(8-18)13-16-6-11(15)7-17-13/h6-7,9-10,12,19H,3-5,8H2,1-2H3/t10?,12-/m1/s1.
What are the key properties of (2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one?
(2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one has a molecular weight of 342.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(5-bromopyrimidin-2-yl)piperidin-1-yl]-2-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 136585183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).