N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine

C20H20FN5O4S — CID 124995303

IUPACN-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1
InChIInChI=1S/C20H20FN5O4S/c1-29-16-7-6-14(21)12-18(16)31(27,28)26-10-11-30-17(13-26)15-4-2-5-19(24-15)25-20-22-8-3-9-23-20/h2-9,12,17H,10-11,13H2,1H3,(H,22,23,24,25)/t17-/m0/s1
InChIKeyQLBPOQSDKBOXLY-KRWDZBQOSA-N
MW445.48 g/mol
LogP2.53
Rot. Bonds6

About N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine

N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 124995303) has the molecular formula C20H20FN5O4S and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID124995303
Molecular FormulaC20H20FN5O4S
Molecular Weight445.48 g/mol
Exact Mass445.12
IUPAC NameN-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1
InChIInChI=1S/C20H20FN5O4S/c1-29-16-7-6-14(21)12-18(16)31(27,28)26-10-11-30-17(13-26)15-4-2-5-19(24-15)25-20-22-8-3-9-23-20/h2-9,12,17H,10-11,13H2,1H3,(H,22,23,24,25)/t17-/m0/s1
InChIKeyQLBPOQSDKBOXLY-KRWDZBQOSA-N
XLogP2.53
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 125023339
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326792
4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326818
6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835623
6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 124996771
N-(5-fluoro-2-pyridinyl)-6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]pyridin-2-amine
CID 124961644
N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 124974476
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251771
N-[6-[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 155985038
2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone
CID 125023520
4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 75474711

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 124995303) is N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine is COc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1.
What is the InChIKey of N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is QLBPOQSDKBOXLY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20FN5O4S/c1-29-16-7-6-14(21)12-18(16)31(27,28)26-10-11-30-17(13-26)15-4-2-5-19(24-15)25-20-22-8-3-9-23-20/h2-9,12,17H,10-11,13H2,1H3,(H,22,23,24,25)/t17-/m0/s1.
What are the key properties of N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 445.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 124995303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).