N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine

C20H20FN5O4S — CID 125023339

IUPACN-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2ccc(Nc3ncccn3)cn2)C1
InChIInChI=1S/C20H20FN5O4S/c1-29-17-6-3-14(21)11-19(17)31(27,28)26-9-10-30-18(13-26)16-5-4-15(12-24-16)25-20-22-7-2-8-23-20/h2-8,11-12,18H,9-10,13H2,1H3,(H,22,23,25)/t18-/m0/s1
InChIKeyYXMRKNNRWZBMPB-SFHVURJKSA-N
MW445.48 g/mol
LogP2.53
Rot. Bonds6

About N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine

N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 125023339) 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]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
PubChem CID125023339
Molecular FormulaC20H20FN5O4S
Molecular Weight445.48 g/mol
Exact Mass445.12
IUPAC NameN-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2ccc(Nc3ncccn3)cn2)C1
InChIInChI=1S/C20H20FN5O4S/c1-29-17-6-3-14(21)11-19(17)31(27,28)26-9-10-30-18(13-26)16-5-4-15(12-24-16)25-20-22-7-2-8-23-20/h2-8,11-12,18H,9-10,13H2,1H3,(H,22,23,25)/t18-/m0/s1
InChIKeyYXMRKNNRWZBMPB-SFHVURJKSA-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

Analyze N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 124995303
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326792
4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326818
6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 127249177
N-[6-[4-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249193
6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124942643
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
N,N-dimethyl-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-sulfonamide
CID 127249076
6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 127249216
N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 95834277
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
(2R)-4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 124978418

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine (CID 125023339) is N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine is COc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2ccc(Nc3ncccn3)cn2)C1.
What is the InChIKey of N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is YXMRKNNRWZBMPB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20FN5O4S/c1-29-17-6-3-14(21)11-19(17)31(27,28)26-9-10-30-18(13-26)16-5-4-15(12-24-16)25-20-22-7-2-8-23-20/h2-8,11-12,18H,9-10,13H2,1H3,(H,22,23,25)/t18-/m0/s1.
What are the key properties of N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-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]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 125023339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).