4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine

C17H22N4O3S — CID 58137148

IUPAC4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESCC(C)S(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H22N4O3S/c1-13(2)25(22,23)12-14-11-16(21-7-9-24-10-8-21)20-17(19-14)15-5-3-4-6-18-15/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyPWKJNZKOROTLHM-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.70
Rot. Bonds5

About 4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine

4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine (PubChem CID 58137148) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
PubChem CID58137148
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESCC(C)S(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H22N4O3S/c1-13(2)25(22,23)12-14-11-16(21-7-9-24-10-8-21)20-17(19-14)15-5-3-4-6-18-15/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyPWKJNZKOROTLHM-UHFFFAOYSA-N
XLogP1.70
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Alnodesertib
CID 145766632
5-(2-Methylpropane-2-sulfonyl)-2-(pyridin-2-yl)pyrimidin-4-amine
CID 2778673
5-(Isopropylsulfonyl)-2-(2-pyridyl)pyrimidin-4-amine
CID 2778653
Methyl 4-morpholino-2-(2-pyridinyl)-5-pyrimidinyl ether
CID 1470839
4-{2-Methyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}morpholine
CID 1476655
4-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(3-morpholinopropylsulphonyl)anilino]pyrimidine
CID 44589091
4-(Methanesulfonylmethyl)-2-(pyridin-4-yl)-6-(pyrrolidin-1-yl)pyrimidine
CID 3811929
4-[5-Chloro-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl]morpholine
CID 2796262
N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3851518
4-(6-(((4-Chlorophenyl)sulfanyl)methyl)-2-(2-pyridinyl)-4-pyrimidinyl)morpholine
CID 1489499
4-Fluoro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121428412
4-Fluoro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121428413

Frequently Asked Questions

What is the IUPAC name of 4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine (CID 58137148) is 4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine is CC(C)S(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The InChIKey is PWKJNZKOROTLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-13(2)25(22,23)12-14-11-16(21-7-9-24-10-8-21)20-17(19-14)15-5-3-4-6-18-15/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine has a molecular weight of 362.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(propan-2-ylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 58137148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).