2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine

C11H11ClFN3O2S2 — CID 145195233

IUPAC2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1sccc1Nc1nc(Cl)ncc1F
InChIInChI=1S/C11H11ClFN3O2S2/c1-6(2)20(17,18)10-8(3-4-19-10)15-9-7(13)5-14-11(12)16-9/h3-6H,1-2H3,(H,14,15,16)
InChIKeySCAHFSJJAOZQFA-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.26
Rot. Bonds4

About 2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine (PubChem CID 145195233) has the molecular formula C11H11ClFN3O2S2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine
PubChem CID145195233
Molecular FormulaC11H11ClFN3O2S2
Molecular Weight335.81 g/mol
Exact Mass335.00
IUPAC Name2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1sccc1Nc1nc(Cl)ncc1F
InChIInChI=1S/C11H11ClFN3O2S2/c1-6(2)20(17,18)10-8(3-4-19-10)15-9-7(13)5-14-11(12)16-9/h3-6H,1-2H3,(H,14,15,16)
InChIKeySCAHFSJJAOZQFA-UHFFFAOYSA-N
XLogP3.26
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine (CID 145195233) is 2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine is CC(C)S(=O)(=O)c1sccc1Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine?
The InChIKey is SCAHFSJJAOZQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S2/c1-6(2)20(17,18)10-8(3-4-19-10)15-9-7(13)5-14-11(12)16-9/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine has a molecular weight of 335.81 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 145195233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).