4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine

C18H21N3O3S — CID 71584165

IUPAC4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H21N3O3S/c1-25(22,23)18(7-8-18)15-13-16(21-9-11-24-12-10-21)20-17(19-15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyDBEQXNURMUQEER-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.01
Rot. Bonds4

About 4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine

4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine (PubChem CID 71584165) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine
PubChem CID71584165
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H21N3O3S/c1-25(22,23)18(7-8-18)15-13-16(21-9-11-24-12-10-21)20-17(19-15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
InChIKeyDBEQXNURMUQEER-UHFFFAOYSA-N
XLogP2.01
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine (CID 71584165) is 4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine is CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine?
The InChIKey is DBEQXNURMUQEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-25(22,23)18(7-8-18)15-13-16(21-9-11-24-12-10-21)20-17(19-15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3.
What are the key properties of 4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine?
4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine has a molecular weight of 359.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 71584165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).