5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine

C20H19FN4O2S — CID 90312976

IUPAC5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cn1
InChIInChI=1S/C20H19FN4O2S/c21-18-11-14(7-8-16(18)15-12-23-20(22)24-13-15)17-5-1-2-6-19(17)28(26,27)25-9-3-4-10-25/h1-2,5-8,11-13H,3-4,9-10H2,(H2,22,23,24)
InChIKeyKLRVGTXVCFFLLG-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.32
Rot. Bonds4

About 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine

5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine (PubChem CID 90312976) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine
PubChem CID90312976
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cn1
InChIInChI=1S/C20H19FN4O2S/c21-18-11-14(7-8-16(18)15-12-23-20(22)24-13-15)17-5-1-2-6-19(17)28(26,27)25-9-3-4-10-25/h1-2,5-8,11-13H,3-4,9-10H2,(H2,22,23,24)
InChIKeyKLRVGTXVCFFLLG-UHFFFAOYSA-N
XLogP3.32
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-fluorophenyl]benzenesulfonamide
CID 90313567
2-[6-(2-Aminopyrimidin-5-yl)-5-fluoropyridin-3-yl]-N-tert-butylbenzenesulfonamide
CID 90313798
2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 90314172
1-((4'-(2-Aminopyrimidin-5-yl)-3'-fluoro-[1,1'-biphenyl]-2-yl)sulfonyl)-3-(trifluoromethyl)azetidin-3-ol
CID 90314506
4-amino-N-[4-[(E)-2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
CID 5337444
4-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 70683481
5-fluoro-4-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 70689786
5-[4-[2-(4-Cyclopropylpiperazin-1-yl)sulfonylphenyl]-2-fluorophenyl]pyrimidin-2-amine
CID 90312486
5-[2-Fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyridin-2-amine
CID 90312624
4'-(2-Aminopyrimidin-5-yl)-3'-fluoro-N-methyl-4-(trifluoromethyl)biphenyl-2-sulfonamide
CID 90312662
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-cyclopropylbenzenesulfonamide
CID 90312708
4'-(2-Aminopyrimidin-5-yl)-3'-fluoro-N-methyl-N-[(3R)-piperidin-3-yl]biphenyl-2-sulfonamide
CID 90312768

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine (CID 90312976) is 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine?
The InChIKey is KLRVGTXVCFFLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-18-11-14(7-8-16(18)15-12-23-20(22)24-13-15)17-5-1-2-6-19(17)28(26,27)25-9-3-4-10-25/h1-2,5-8,11-13H,3-4,9-10H2,(H2,22,23,24).
What are the key properties of 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine?
5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine has a molecular weight of 398.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 90312976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).