2-chloro-5-fluoro-N-methylpyrimidin-4-amine

C5H5ClFN3 — CID 5072307

IUPAC2-chloro-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cl)ncc1F
InChIInChI=1S/C5H5ClFN3/c1-8-4-3(7)2-9-5(6)10-4/h2H,1H3,(H,8,9,10)
InChIKeyVYADLELCFPIRRE-UHFFFAOYSA-N
MW161.57 g/mol
LogP1.31
Rot. Bonds1

About 2-chloro-5-fluoro-N-methylpyrimidin-4-amine

2-chloro-5-fluoro-N-methylpyrimidin-4-amine (PubChem CID 5072307) has the molecular formula C5H5ClFN3 and a molecular weight of 161.57 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-methylpyrimidin-4-amine
PubChem CID5072307
Molecular FormulaC5H5ClFN3
Molecular Weight161.57 g/mol
Exact Mass161.02
IUPAC Name2-chloro-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cl)ncc1F
InChIInChI=1S/C5H5ClFN3/c1-8-4-3(7)2-9-5(6)10-4/h2H,1H3,(H,8,9,10)
InChIKeyVYADLELCFPIRRE-UHFFFAOYSA-N
XLogP1.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.57
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-methylpyrimidin-4-amine (CID 5072307) is 2-chloro-5-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-methylpyrimidin-4-amine is CNc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is VYADLELCFPIRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN3/c1-8-4-3(7)2-9-5(6)10-4/h2H,1H3,(H,8,9,10).
What are the key properties of 2-chloro-5-fluoro-N-methylpyrimidin-4-amine?
2-chloro-5-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 161.57 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 5072307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).