[3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol

C17H21N3O4S — CID 58137137

IUPAC[3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2cccc(CO)c2)n1
InChIInChI=1S/C17H21N3O4S/c1-25(22,23)12-15-10-16(20-5-7-24-8-6-20)19-17(18-15)14-4-2-3-13(9-14)11-21/h2-4,9-10,21H,5-8,11-12H2,1H3
InChIKeySDAVLBYUVPQGLR-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.02
Rot. Bonds5

About [3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol

[3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol (PubChem CID 58137137) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is [3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol
PubChem CID58137137
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name[3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2cccc(CO)c2)n1
InChIInChI=1S/C17H21N3O4S/c1-25(22,23)12-15-10-16(20-5-7-24-8-6-20)19-17(18-15)14-4-2-3-13(9-14)11-21/h2-4,9-10,21H,5-8,11-12H2,1H3
InChIKeySDAVLBYUVPQGLR-UHFFFAOYSA-N
XLogP1.02
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(1-Methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine
CID 71584165
Methyl (6-morpholino-2-phenyl-4-pyrimidinyl)methyl sulfone
CID 1476679
3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol
CID 155511706
3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]phenol
CID 155545182
4-[2-[3-(Methoxymethyl)phenyl]-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 70692128
4-(Methoxymethyl)-2-methyl-5-[(3-methylphenyl)methyl]-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 45972559
[2-(6-Ethyl-2-morpholin-4-ylpyrimidin-4-yl)phenyl]methanol
CID 50964818
Methyl (6-morpholino-2-phenyl-4-pyrimidinyl)methyl sulfoxide
CID 3811380
[3-[4-Morpholin-4-yl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-2-yl]phenyl]methanol
CID 25111643
N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
CID 25167914
2-[1-[2-(4-aminophenyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]sulfonylethanol
CID 57546590
3-[1-[2-(4-aminophenyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclobutyl]sulfonylpropan-1-ol
CID 57547058

Frequently Asked Questions

What is the IUPAC name of [3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol?
The IUPAC name of [3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol (CID 58137137) is [3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol is CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2cccc(CO)c2)n1.
What is the InChIKey of [3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol?
The InChIKey is SDAVLBYUVPQGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-25(22,23)12-15-10-16(20-5-7-24-8-6-20)19-17(18-15)14-4-2-3-13(9-14)11-21/h2-4,9-10,21H,5-8,11-12H2,1H3.
What are the key properties of [3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol?
[3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol has a molecular weight of 363.44 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol is sourced from PubChem (CID 58137137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).