(2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine

C17H21N3O3S — CID 124990207

IUPAC(2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
SMILESCc1nccc([C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1
InChIInChI=1S/C17H21N3O3S/c1-13-18-8-7-16(19-13)17-12-20(9-10-23-17)11-14-3-5-15(6-4-14)24(2,21)22/h3-8,17H,9-12H2,1-2H3/t17-/m0/s1
InChIKeyPACANRHPVVQXAK-KRWDZBQOSA-N
MW347.44 g/mol
LogP1.76
Rot. Bonds4

About (2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine

(2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine (PubChem CID 124990207) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
PubChem CID124990207
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
SMILESCc1nccc([C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1
InChIInChI=1S/C17H21N3O3S/c1-13-18-8-7-16(19-13)17-12-20(9-10-23-17)11-14-3-5-15(6-4-14)24(2,21)22/h3-8,17H,9-12H2,1-2H3/t17-/m0/s1
InChIKeyPACANRHPVVQXAK-KRWDZBQOSA-N
XLogP1.76
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 125025847
(2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124951754
4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 127246320
2-[4-[[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methyl]phenyl]benzoic acid
CID 110097235
2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110112074
(2R)-4-(cyclopropylmethyl)-2-(2-methylpyrimidin-4-yl)morpholine
CID 95843145
4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine
CID 110269895
(2S)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrimidin-4-yl)morpholine
CID 124962421
N,N-dimethyl-2-(2-methylpyrimidin-4-yl)morpholine-4-sulfonamide
CID 110096221
2-(5-methylpyrazin-2-yl)-4-[(2-methylpyrimidin-4-yl)methyl]morpholine
CID 110103266
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone
CID 124941213
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]ethanone
CID 124941214

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine?
The IUPAC name of (2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine (CID 124990207) is (2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine?
The canonical SMILES for (2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine is Cc1nccc([C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1.
What is the InChIKey of (2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine?
The InChIKey is PACANRHPVVQXAK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-18-8-7-16(19-13)17-12-20(9-10-23-17)11-14-3-5-15(6-4-14)24(2,21)22/h3-8,17H,9-12H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine?
(2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine has a molecular weight of 347.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine is sourced from PubChem (CID 124990207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).