4-chloro-2,6-difluoro-5-methylpyrimidine

C5H3ClF2N2 — CID 18981191

IUPAC4-chloro-2,6-difluoro-5-methylpyrimidine
SMILESCc1c(F)nc(F)nc1Cl
InChIInChI=1S/C5H3ClF2N2/c1-2-3(6)9-5(8)10-4(2)7/h1H3
InChIKeyVJMKIDUNVPFBOB-UHFFFAOYSA-N
MW164.54 g/mol
LogP1.72
Rot. Bonds

About 4-chloro-2,6-difluoro-5-methylpyrimidine

4-chloro-2,6-difluoro-5-methylpyrimidine (PubChem CID 18981191) has the molecular formula C5H3ClF2N2 and a molecular weight of 164.54 g/mol. Its IUPAC name is 4-chloro-2,6-difluoro-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-difluoro-5-methylpyrimidine
PubChem CID18981191
Molecular FormulaC5H3ClF2N2
Molecular Weight164.54 g/mol
Exact Mass164.00
IUPAC Name4-chloro-2,6-difluoro-5-methylpyrimidine
SMILESCc1c(F)nc(F)nc1Cl
InChIInChI=1S/C5H3ClF2N2/c1-2-3(6)9-5(8)10-4(2)7/h1H3
InChIKeyVJMKIDUNVPFBOB-UHFFFAOYSA-N
XLogP1.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.54
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-difluoro-5-methylpyrimidine?
The IUPAC name of 4-chloro-2,6-difluoro-5-methylpyrimidine (CID 18981191) is 4-chloro-2,6-difluoro-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2,6-difluoro-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2,6-difluoro-5-methylpyrimidine is Cc1c(F)nc(F)nc1Cl.
What is the InChIKey of 4-chloro-2,6-difluoro-5-methylpyrimidine?
The InChIKey is VJMKIDUNVPFBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2/c1-2-3(6)9-5(8)10-4(2)7/h1H3.
What are the key properties of 4-chloro-2,6-difluoro-5-methylpyrimidine?
4-chloro-2,6-difluoro-5-methylpyrimidine has a molecular weight of 164.54 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-difluoro-5-methylpyrimidine is sourced from PubChem (CID 18981191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).