2-[(1S)-1-bromopropyl]pyrimidine

C7H9BrN2 — CID 124635355

IUPAC2-[(1S)-1-bromopropyl]pyrimidine
SMILESCC[C@H](Br)c1ncccn1
InChIInChI=1S/C7H9BrN2/c1-2-6(8)7-9-4-3-5-10-7/h3-6H,2H2,1H3/t6-/m0/s1
InChIKeyAIBREZZVWUXRRG-LURJTMIESA-N
MW201.07 g/mol
LogP2.32
Rot. Bonds2

About 2-[(1S)-1-bromopropyl]pyrimidine

2-[(1S)-1-bromopropyl]pyrimidine (PubChem CID 124635355) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 2-[(1S)-1-bromopropyl]pyrimidine.

Molecular Properties

Compound Name2-[(1S)-1-bromopropyl]pyrimidine
PubChem CID124635355
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name2-[(1S)-1-bromopropyl]pyrimidine
SMILESCC[C@H](Br)c1ncccn1
InChIInChI=1S/C7H9BrN2/c1-2-6(8)7-9-4-3-5-10-7/h3-6H,2H2,1H3/t6-/m0/s1
InChIKeyAIBREZZVWUXRRG-LURJTMIESA-N
XLogP2.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pyrimidin-2-ylpentan-2-ol
CID 63201326
2,3-di(pyrimidin-2-yl)pentanal
CID 175174368
N-propan-2-yl-1-pyrimidin-2-ylpropan-1-amine
CID 89012774
(2-ethyl-1-pyrimidin-2-ylbutyl)hydrazine
CID 105203534
1-pyrimidin-2-ylbutan-1-ol
CID 60798581
ethane;2-(2-methylbutyl)pyrimidine
CID 170603864
2-(aminomethyl)-1-pyrimidin-2-ylbutan-1-ol
CID 114552994
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine
CID 114552962
2-(3-methylpentyl)pyrimidine
CID 57256204
2-butan-2-ylpyrimidine;2-methylpyridine
CID 142961647
(3-ethyl-1-pyrimidin-2-ylpentyl)hydrazine
CID 105203815

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-bromopropyl]pyrimidine?
The IUPAC name of 2-[(1S)-1-bromopropyl]pyrimidine (CID 124635355) is 2-[(1S)-1-bromopropyl]pyrimidine.
What is the SMILES notation for 2-[(1S)-1-bromopropyl]pyrimidine?
The canonical SMILES for 2-[(1S)-1-bromopropyl]pyrimidine is CC[C@H](Br)c1ncccn1.
What is the InChIKey of 2-[(1S)-1-bromopropyl]pyrimidine?
The InChIKey is AIBREZZVWUXRRG-LURJTMIESA-N. The full InChI is InChI=1S/C7H9BrN2/c1-2-6(8)7-9-4-3-5-10-7/h3-6H,2H2,1H3/t6-/m0/s1.
What are the key properties of 2-[(1S)-1-bromopropyl]pyrimidine?
2-[(1S)-1-bromopropyl]pyrimidine has a molecular weight of 201.07 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-bromopropyl]pyrimidine is sourced from PubChem (CID 124635355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).