5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine

C11H12FN3O2S — CID 130405504

IUPAC5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine
SMILESCc1ccc(S(=O)(=O)N2C=NC(N)=C(F)C2)cc1
InChIInChI=1S/C11H12FN3O2S/c1-8-2-4-9(5-3-8)18(16,17)15-6-10(12)11(13)14-7-15/h2-5,7H,6,13H2,1H3
InChIKeyIFJBMVOOOGNPDM-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.12
Rot. Bonds2

About 5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine

5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine (PubChem CID 130405504) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine.

Molecular Properties

Compound Name5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine
PubChem CID130405504
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine
SMILESCc1ccc(S(=O)(=O)N2C=NC(N)=C(F)C2)cc1
InChIInChI=1S/C11H12FN3O2S/c1-8-2-4-9(5-3-8)18(16,17)15-6-10(12)11(13)14-7-15/h2-5,7H,6,13H2,1H3
InChIKeyIFJBMVOOOGNPDM-UHFFFAOYSA-N
XLogP1.12
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine?
The IUPAC name of 5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine (CID 130405504) is 5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine.
What is the SMILES notation for 5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine?
The canonical SMILES for 5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine is Cc1ccc(S(=O)(=O)N2C=NC(N)=C(F)C2)cc1.
What is the InChIKey of 5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine?
The InChIKey is IFJBMVOOOGNPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-8-2-4-9(5-3-8)18(16,17)15-6-10(12)11(13)14-7-15/h2-5,7H,6,13H2,1H3.
What are the key properties of 5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine?
5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine has a molecular weight of 269.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-methylphenyl)sulfonyl-4H-pyrimidin-6-amine is sourced from PubChem (CID 130405504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).