2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine

C10H11FN6O2S — CID 167426020

IUPAC2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(S(=O)(=O)N3CC(F)C3)c2)n1
InChIInChI=1S/C10H11FN6O2S/c11-8-5-16(6-8)20(18,19)17-4-7(3-14-17)10-13-2-1-9(12)15-10/h1-4,8H,5-6H2,(H2,12,13,15)
InChIKeyKLZJQDVKFFPCHY-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.33
Rot. Bonds3

About 2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine

2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine (PubChem CID 167426020) has the molecular formula C10H11FN6O2S and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine
PubChem CID167426020
Molecular FormulaC10H11FN6O2S
Molecular Weight298.30 g/mol
Exact Mass298.06
IUPAC Name2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(S(=O)(=O)N3CC(F)C3)c2)n1
InChIInChI=1S/C10H11FN6O2S/c11-8-5-16(6-8)20(18,19)17-4-7(3-14-17)10-13-2-1-9(12)15-10/h1-4,8H,5-6H2,(H2,12,13,15)
InChIKeyKLZJQDVKFFPCHY-UHFFFAOYSA-N
XLogP-0.33
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-4-{3-[(1H-pyrazol-1-yl)methyl]azetidin-1-yl}pyrimidine
CID 137965151
4-N-ethyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092262
4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093205
4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093297
2-N-(1-ethylpyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093516
4-[4-(Trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 69436881
4-[4-(Trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868731
2-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]pyrimidine
CID 151040565
N'-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 152008594
2-[1-(Difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 167425447
2-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 167425769
2-[1-(2,2,3,3-Tetrafluoropropyl)pyrazol-4-yl]pyrimidin-4-amine
CID 167425826

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of 2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine (CID 167426020) is 2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine is Nc1ccnc(-c2cnn(S(=O)(=O)N3CC(F)C3)c2)n1.
What is the InChIKey of 2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is KLZJQDVKFFPCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6O2S/c11-8-5-16(6-8)20(18,19)17-4-7(3-14-17)10-13-2-1-9(12)15-10/h1-4,8H,5-6H2,(H2,12,13,15).
What are the key properties of 2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine?
2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 298.30 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 167426020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).