2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide

C12H11FN4OS — CID 62269451

IUPAC2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide
SMILESCc1ccnc(Sc2cc(C(N)=O)c(N)cc2F)n1
InChIInChI=1S/C12H11FN4OS/c1-6-2-3-16-12(17-6)19-10-4-7(11(15)18)9(14)5-8(10)13/h2-5H,14H2,1H3,(H2,15,18)
InChIKeyRJDKQTWIXPJEMT-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide

2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide (PubChem CID 62269451) has the molecular formula C12H11FN4OS and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide
PubChem CID62269451
Molecular FormulaC12H11FN4OS
Molecular Weight278.31 g/mol
Exact Mass278.06
IUPAC Name2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide
SMILESCc1ccnc(Sc2cc(C(N)=O)c(N)cc2F)n1
InChIInChI=1S/C12H11FN4OS/c1-6-2-3-16-12(17-6)19-10-4-7(11(15)18)9(14)5-8(10)13/h2-5H,14H2,1H3,(H2,15,18)
InChIKeyRJDKQTWIXPJEMT-UHFFFAOYSA-N
XLogP1.76
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide?
The IUPAC name of 2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide (CID 62269451) is 2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide.
What is the SMILES notation for 2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide?
The canonical SMILES for 2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide is Cc1ccnc(Sc2cc(C(N)=O)c(N)cc2F)n1.
What is the InChIKey of 2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide?
The InChIKey is RJDKQTWIXPJEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4OS/c1-6-2-3-16-12(17-6)19-10-4-7(11(15)18)9(14)5-8(10)13/h2-5H,14H2,1H3,(H2,15,18).
What are the key properties of 2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide?
2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide has a molecular weight of 278.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-(4-methylpyrimidin-2-yl)sulfanylbenzamide is sourced from PubChem (CID 62269451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).