2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine

C10H14BrN3 — CID 102961086

IUPAC2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCN(c2ncccn2)CC1Br
InChIInChI=1S/C10H14BrN3/c1-8-3-6-14(7-9(8)11)10-12-4-2-5-13-10/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyPUWVEGYWBYDUBU-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.09
Rot. Bonds1

About 2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine

2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine (PubChem CID 102961086) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine
PubChem CID102961086
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCN(c2ncccn2)CC1Br
InChIInChI=1S/C10H14BrN3/c1-8-3-6-14(7-9(8)11)10-12-4-2-5-13-10/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyPUWVEGYWBYDUBU-UHFFFAOYSA-N
XLogP2.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-methylpiperidin-1-yl)pyrimidine
CID 102960793
2-(3,4-dimethylpyrrolidin-1-yl)pyrimidine
CID 130659210
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
2-(3-bromo-4-methylpiperidin-1-yl)-3-propoxypyridine
CID 102961198
3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine
CID 102961110
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
5-bromo-1-(3-bromo-4-methylpiperidin-1-yl)isoquinoline
CID 106543296
3-(3-bromo-4-methylpiperidin-1-yl)-2,5-dimethylpyrazine
CID 102961228
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
2-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682742
1-(3-bromo-4-methylpiperidin-1-yl)-4-methylphthalazine
CID 102961043
4-(3-bromo-4-methylpiperidin-1-yl)thieno[3,2-c]pyridine
CID 102961165

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine (CID 102961086) is 2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine is CC1CCN(c2ncccn2)CC1Br.
What is the InChIKey of 2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine?
The InChIKey is PUWVEGYWBYDUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-8-3-6-14(7-9(8)11)10-12-4-2-5-13-10/h2,4-5,8-9H,3,6-7H2,1H3.
What are the key properties of 2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine?
2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine has a molecular weight of 256.15 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 102961086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).