2-(chloromethyl)-4-fluoro-6-methylpyrimidine

C6H6ClFN2 — CID 155921169

IUPAC2-(chloromethyl)-4-fluoro-6-methylpyrimidine
SMILESCc1cc(F)nc(CCl)n1
InChIInChI=1S/C6H6ClFN2/c1-4-2-5(8)10-6(3-7)9-4/h2H,3H2,1H3
InChIKeyOKCGXKCXROXENW-UHFFFAOYSA-N
MW160.58 g/mol
LogP1.66
Rot. Bonds1

About 2-(chloromethyl)-4-fluoro-6-methylpyrimidine

2-(chloromethyl)-4-fluoro-6-methylpyrimidine (PubChem CID 155921169) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is 2-(chloromethyl)-4-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4-fluoro-6-methylpyrimidine
PubChem CID155921169
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name2-(chloromethyl)-4-fluoro-6-methylpyrimidine
SMILESCc1cc(F)nc(CCl)n1
InChIInChI=1S/C6H6ClFN2/c1-4-2-5(8)10-6(3-7)9-4/h2H,3H2,1H3
InChIKeyOKCGXKCXROXENW-UHFFFAOYSA-N
XLogP1.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 51.66
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-(chloromethyl)-4-ethyl-6-fluoropyrimidine
CID 164652144
2-(chloromethyl)-6-methylpyrimidin-4-amine
CID 14693651
2-(chloromethyl)-4-(3,4-difluorophenyl)-6-methylpyrimidine
CID 116893696
2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine
CID 116893669
2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine
CID 116893701
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567
CID 174032147
CID 174032147
2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
CID 116893719
4-fluoro-6-methyl-2-propan-2-ylpyrimidine
CID 173416420
2-ethyl-4,6-dimethylpyrimidine
CID 23533396
2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine
CID 125498827
2-[(2-chloro-6-fluorophenyl)methyl]-4-(chloromethyl)-6-methylpyrimidine
CID 63024051

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-fluoro-6-methylpyrimidine?
The IUPAC name of 2-(chloromethyl)-4-fluoro-6-methylpyrimidine (CID 155921169) is 2-(chloromethyl)-4-fluoro-6-methylpyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4-fluoro-6-methylpyrimidine?
The canonical SMILES for 2-(chloromethyl)-4-fluoro-6-methylpyrimidine is Cc1cc(F)nc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-fluoro-6-methylpyrimidine?
The InChIKey is OKCGXKCXROXENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c1-4-2-5(8)10-6(3-7)9-4/h2H,3H2,1H3.
What are the key properties of 2-(chloromethyl)-4-fluoro-6-methylpyrimidine?
2-(chloromethyl)-4-fluoro-6-methylpyrimidine has a molecular weight of 160.58 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-fluoro-6-methylpyrimidine is sourced from PubChem (CID 155921169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).