6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

C18H17ClN6O3S — CID 124996771

IUPAC6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
SMILESO=S(=O)(c1ccccc1Cl)N1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C18H17ClN6O3S/c19-13-4-1-2-5-16(13)29(26,27)25-8-9-28-15(12-25)14-10-20-11-17(23-14)24-18-21-6-3-7-22-18/h1-7,10-11,15H,8-9,12H2,(H,21,22,23,24)/t15-/m1/s1
InChIKeyQVPPAGATHHJHBI-OAHLLOKOSA-N
MW432.89 g/mol
LogP2.43
Rot. Bonds5

About 6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine (PubChem CID 124996771) has the molecular formula C18H17ClN6O3S and a molecular weight of 432.89 g/mol. Its IUPAC name is 6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
PubChem CID124996771
Molecular FormulaC18H17ClN6O3S
Molecular Weight432.89 g/mol
Exact Mass432.08
IUPAC Name6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
SMILESO=S(=O)(c1ccccc1Cl)N1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C18H17ClN6O3S/c19-13-4-1-2-5-16(13)29(26,27)25-8-9-28-15(12-25)14-10-20-11-17(23-14)24-18-21-6-3-7-22-18/h1-7,10-11,15H,8-9,12H2,(H,21,22,23,24)/t15-/m1/s1
InChIKeyQVPPAGATHHJHBI-OAHLLOKOSA-N
XLogP2.43
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 124974476
6-[4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251749
6-(4-propan-2-ylmorpholin-2-yl)-N-pyrimidin-2-ylpyrazin-2-amine
CID 110265559
N-[6-[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 155985038
6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 124948303
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 124995303
4-(2-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 127246296
N-[6-[4-[(2-chlorophenyl)methylsulfonyl]morpholin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093032
N-pyrimidin-2-yl-6-[(2R)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 124996475
N-pyrimidin-2-yl-6-[(2S)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 124996474
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 125023339
4-(benzenesulfonyl)-2-pyridin-2-ylmorpholine
CID 110270736

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The IUPAC name of 6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine (CID 124996771) is 6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The canonical SMILES for 6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine is O=S(=O)(c1ccccc1Cl)N1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1.
What is the InChIKey of 6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The InChIKey is QVPPAGATHHJHBI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17ClN6O3S/c19-13-4-1-2-5-16(13)29(26,27)25-8-9-28-15(12-25)14-10-20-11-17(23-14)24-18-21-6-3-7-22-18/h1-7,10-11,15H,8-9,12H2,(H,21,22,23,24)/t15-/m1/s1.
What are the key properties of 6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine has a molecular weight of 432.89 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine is sourced from PubChem (CID 124996771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).