5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine

C12H15FN4 — CID 69032187

IUPAC5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine
SMILESCc1ccc(C2(F)C=NC(N)N=C2N)c(C)c1
InChIInChI=1S/C12H15FN4/c1-7-3-4-9(8(2)5-7)12(13)6-16-11(15)17-10(12)14/h3-6,11H,15H2,1-2H3,(H2,14,17)
InChIKeyGMZKXHYCZSUNQP-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.15
Rot. Bonds1

About 5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine

5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine (PubChem CID 69032187) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine
PubChem CID69032187
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine
SMILESCc1ccc(C2(F)C=NC(N)N=C2N)c(C)c1
InChIInChI=1S/C12H15FN4/c1-7-3-4-9(8(2)5-7)12(13)6-16-11(15)17-10(12)14/h3-6,11H,15H2,1-2H3,(H2,14,17)
InChIKeyGMZKXHYCZSUNQP-UHFFFAOYSA-N
XLogP1.15
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine?
The IUPAC name of 5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine (CID 69032187) is 5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine is Cc1ccc(C2(F)C=NC(N)N=C2N)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine?
The InChIKey is GMZKXHYCZSUNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-7-3-4-9(8(2)5-7)12(13)6-16-11(15)17-10(12)14/h3-6,11H,15H2,1-2H3,(H2,14,17).
What are the key properties of 5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine?
5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine has a molecular weight of 234.28 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-5-fluoro-2H-pyrimidine-2,4-diamine is sourced from PubChem (CID 69032187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).