4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine

C16H19N3O3S — CID 1476655

IUPAC4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(CS(=O)(=O)c2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H19N3O3S/c1-13-17-14(11-16(18-13)19-7-9-22-10-8-19)12-23(20,21)15-5-3-2-4-6-15/h2-6,11H,7-10,12H2,1H3
InChIKeyVJXKUSWDEPDSHT-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.60
Rot. Bonds4

About 4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine

4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine (PubChem CID 1476655) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine
PubChem CID1476655
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(CS(=O)(=O)c2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H19N3O3S/c1-13-17-14(11-16(18-13)19-7-9-22-10-8-19)12-23(20,21)15-5-3-2-4-6-15/h2-6,11H,7-10,12H2,1H3
InChIKeyVJXKUSWDEPDSHT-UHFFFAOYSA-N
XLogP1.60
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-{[(4-Chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)morpholine
CID 1489495
4-[6-(1-Methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine
CID 71584165
4-(6-{[(4-Chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)-2,6-dimethylmorpholine
CID 3833696
4-(6-((Methylsulfanyl)methyl)-2-phenyl-4-pyrimidinyl)morpholine
CID 1471380
[6-Morpholino-2-(2-pyridinyl)-4-pyrimidinyl]methyl phenyl sulfone
CID 1471775
Methyl (6-morpholino-2-phenyl-4-pyrimidinyl)methyl sulfone
CID 1476679
4-(6-(((4-Chlorophenyl)sulfonyl)methyl)-2-methyl-4-pyrimidinyl)morpholine
CID 1479479
N-[4-[4-(Methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]methanesulfonamide
CID 58024825
4-[(4-Fluorophenyl)sulfonylmethyl]-6-morpholin-4-yl-2-pyridin-2-yl-pyrimidine
CID 58137170
4-(6-{[(4-Chlorophenyl)sulfinyl]methyl}-2-methyl-4-pyrimidinyl)morpholine
CID 1476661
3-[4-(1-Methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 71584166
4-{2-Methyl-6-[(phenylsulfinyl)methyl]-4-pyrimidinyl}morpholine
CID 1476651

Frequently Asked Questions

What is the IUPAC name of 4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine (CID 1476655) is 4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine is Cc1nc(CS(=O)(=O)c2ccccc2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is VJXKUSWDEPDSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-13-17-14(11-16(18-13)19-7-9-22-10-8-19)12-23(20,21)15-5-3-2-4-6-15/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine?
4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 333.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(benzenesulfonylmethyl)-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 1476655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).