5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine

C15H17FN4O2S — CID 110253068

IUPAC5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCCC1c1nc(N)ncc1-c1cccc(F)c1
InChIInChI=1S/C15H17FN4O2S/c1-23(21,22)20-7-3-6-13(20)14-12(9-18-15(17)19-14)10-4-2-5-11(16)8-10/h2,4-5,8-9,13H,3,6-7H2,1H3,(H2,17,18,19)
InChIKeyLULGDGJNVZRHHH-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.96
Rot. Bonds3

About 5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine

5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine (PubChem CID 110253068) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine
PubChem CID110253068
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCCC1c1nc(N)ncc1-c1cccc(F)c1
InChIInChI=1S/C15H17FN4O2S/c1-23(21,22)20-7-3-6-13(20)14-12(9-18-15(17)19-14)10-4-2-5-11(16)8-10/h2,4-5,8-9,13H,3,6-7H2,1H3,(H2,17,18,19)
InChIKeyLULGDGJNVZRHHH-UHFFFAOYSA-N
XLogP1.96
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-4-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
CID 110267000
5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110266907
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110253101
[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 95814883
2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 118740239
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110266755
[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836747
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110253092
1-[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 95815204
1-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110253122
1-[(2R)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95815187
4-(1-benzylsulfonylpyrrolidin-2-yl)-5-(4-fluorophenyl)pyrimidin-2-amine
CID 110253120

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine (CID 110253068) is 5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine is CS(=O)(=O)N1CCCC1c1nc(N)ncc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine?
The InChIKey is LULGDGJNVZRHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-23(21,22)20-7-3-6-13(20)14-12(9-18-15(17)19-14)10-4-2-5-11(16)8-10/h2,4-5,8-9,13H,3,6-7H2,1H3,(H2,17,18,19).
What are the key properties of 5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine?
5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine has a molecular weight of 336.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 110253068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).