4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine

C12H13FN4 — CID 72708993

IUPAC4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(F)cc(C)c1Nc1ccnc(N)n1
InChIInChI=1S/C12H13FN4/c1-7-5-9(13)6-8(2)11(7)16-10-3-4-15-12(14)17-10/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyIGPOOWPYIRJKEU-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.56
Rot. Bonds2

About 4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine

4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 72708993) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine
PubChem CID72708993
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(F)cc(C)c1Nc1ccnc(N)n1
InChIInChI=1S/C12H13FN4/c1-7-5-9(13)6-8(2)11(7)16-10-3-4-15-12(14)17-10/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyIGPOOWPYIRJKEU-UHFFFAOYSA-N
XLogP2.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine (CID 72708993) is 4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine is Cc1cc(F)cc(C)c1Nc1ccnc(N)n1.
What is the InChIKey of 4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is IGPOOWPYIRJKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-7-5-9(13)6-8(2)11(7)16-10-3-4-15-12(14)17-10/h3-6H,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine?
4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2,6-dimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 72708993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).