4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine

C12H12FN3 — CID 63548241

IUPAC4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3/c1-8-7-15-12(14-2)16-11(8)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,15,16)
InChIKeyDJGYEKPVAMYMFV-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.63
Rot. Bonds2

About 4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine

4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine (PubChem CID 63548241) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine
PubChem CID63548241
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3/c1-8-7-15-12(14-2)16-11(8)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,15,16)
InChIKeyDJGYEKPVAMYMFV-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine (CID 63548241) is 4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine is CNc1ncc(C)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine?
The InChIKey is DJGYEKPVAMYMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-7-15-12(14-2)16-11(8)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine?
4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine has a molecular weight of 217.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 63548241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).