4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine

C12H11ClFN3 — CID 116900585

IUPAC4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cc(F)c(C)cc2Cl)n1
InChIInChI=1S/C12H11ClFN3/c1-7-5-9(13)8(6-10(7)14)11-3-4-16-12(15-2)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyHFNYBQKBMLPWGE-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.29
Rot. Bonds2

About 4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine

4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine (PubChem CID 116900585) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine
PubChem CID116900585
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cc(F)c(C)cc2Cl)n1
InChIInChI=1S/C12H11ClFN3/c1-7-5-9(13)8(6-10(7)14)11-3-4-16-12(15-2)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyHFNYBQKBMLPWGE-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine (CID 116900585) is 4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine is CNc1nccc(-c2cc(F)c(C)cc2Cl)n1.
What is the InChIKey of 4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine?
The InChIKey is HFNYBQKBMLPWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-7-5-9(13)8(6-10(7)14)11-3-4-16-12(15-2)17-11/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine?
4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine has a molecular weight of 251.69 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 116900585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).