2-(bromomethyl)-4-methylpyrimidine

C6H7BrN2 — CID 86070948

IUPAC2-(bromomethyl)-4-methylpyrimidine
SMILESCc1ccnc(CBr)n1
InChIInChI=1S/C6H7BrN2/c1-5-2-3-8-6(4-7)9-5/h2-3H,4H2,1H3
InChIKeyJPCOGNXXWZETSU-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.68
Rot. Bonds1

About 2-(bromomethyl)-4-methylpyrimidine

2-(bromomethyl)-4-methylpyrimidine (PubChem CID 86070948) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 2-(bromomethyl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(bromomethyl)-4-methylpyrimidine
PubChem CID86070948
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name2-(bromomethyl)-4-methylpyrimidine
SMILESCc1ccnc(CBr)n1
InChIInChI=1S/C6H7BrN2/c1-5-2-3-8-6(4-7)9-5/h2-3H,4H2,1H3
InChIKeyJPCOGNXXWZETSU-UHFFFAOYSA-N
XLogP1.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.68
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

2-benzyl-4-methylpyrimidine;ethane
CID 142020673
4-methyl-2-[(2-methylphenyl)methyl]pyrimidine
CID 21028246
CID 159996355
CID 159996355
2-methyl-3-(4-methylpyrimidin-2-yl)propanoic acid
CID 116900020
4-methyl-2-(piperazin-1-ylmethyl)pyrimidine
CID 63343078
2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
CID 82471035
3-[2-(bromomethyl)pyrimidin-4-yl]-1,2-oxazole
CID 67959079
2-chloro-N-[(4-methylpyrimidin-2-yl)methyl]acetamide
CID 166416285
N-methyl-2-(4-methylpyrimidin-2-yl)-1-phenylethanamine
CID 63199814
ethane;ethene;4-methylpyrimidin-2-amine
CID 142106657
2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline
CID 82474120
N-ethyl-1-(4-methylpyrimidin-2-yl)pentan-2-amine
CID 63198369

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-methylpyrimidine?
The IUPAC name of 2-(bromomethyl)-4-methylpyrimidine (CID 86070948) is 2-(bromomethyl)-4-methylpyrimidine.
What is the SMILES notation for 2-(bromomethyl)-4-methylpyrimidine?
The canonical SMILES for 2-(bromomethyl)-4-methylpyrimidine is Cc1ccnc(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-4-methylpyrimidine?
The InChIKey is JPCOGNXXWZETSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c1-5-2-3-8-6(4-7)9-5/h2-3H,4H2,1H3.
What are the key properties of 2-(bromomethyl)-4-methylpyrimidine?
2-(bromomethyl)-4-methylpyrimidine has a molecular weight of 187.04 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-methylpyrimidine is sourced from PubChem (CID 86070948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).