5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine

C17H15F2N5O2S — CID 164570419

IUPAC5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CC(Nc2ncc(F)c(-c3cc(F)c4ncccc4c3)n2)C1
InChIInChI=1S/C17H15F2N5O2S/c1-27(25,26)24-8-12(9-24)22-17-21-7-14(19)16(23-17)11-5-10-3-2-4-20-15(10)13(18)6-11/h2-7,12H,8-9H2,1H3,(H,21,22,23)
InChIKeyHONPOAXGHHHNCA-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.03
Rot. Bonds4

About 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine

5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine (PubChem CID 164570419) has the molecular formula C17H15F2N5O2S and a molecular weight of 391.40 g/mol. Its IUPAC name is 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine
PubChem CID164570419
Molecular FormulaC17H15F2N5O2S
Molecular Weight391.40 g/mol
Exact Mass391.09
IUPAC Name5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CC(Nc2ncc(F)c(-c3cc(F)c4ncccc4c3)n2)C1
InChIInChI=1S/C17H15F2N5O2S/c1-27(25,26)24-8-12(9-24)22-17-21-7-14(19)16(23-17)11-5-10-3-2-4-20-15(10)13(18)6-11/h2-7,12H,8-9H2,1H3,(H,21,22,23)
InChIKeyHONPOAXGHHHNCA-UHFFFAOYSA-N
XLogP2.03
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfanylpiperidin-3-yl)pyrimidin-2-amine
CID 167163320
8-fluoro-6-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]quinoline-4-carboxylic acid
CID 164570492
4-[6-(dimethylamino)-5-fluoro-3-pyridinyl]-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine
CID 171617204
4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-fluoropyrimidin-2-amine
CID 164570396
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine
CID 163381263
3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483365
4-[6-[[5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
CID 163381356
(3S,4S)-4-[[5-chloro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]oxolan-3-ol
CID 171660695
4-[4-(1-aminoethyl)-8-fluoroquinolin-6-yl]-5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175753471
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-(3-methylbut-2-enyl)pyridin-2-one
CID 171483362
5-fluoro-4-[8-fluoro-4-(nitrosomethyl)quinolin-6-yl]-N-piperidin-4-ylpyrimidin-2-amine
CID 164570334

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine (CID 164570419) is 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine is CS(=O)(=O)N1CC(Nc2ncc(F)c(-c3cc(F)c4ncccc4c3)n2)C1.
What is the InChIKey of 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine?
The InChIKey is HONPOAXGHHHNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2S/c1-27(25,26)24-8-12(9-24)22-17-21-7-14(19)16(23-17)11-5-10-3-2-4-20-15(10)13(18)6-11/h2-7,12H,8-9H2,1H3,(H,21,22,23).
What are the key properties of 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine?
5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine has a molecular weight of 391.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(8-fluoroquinolin-6-yl)-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 164570419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).