4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine

C16H19N3O3S — CID 1476679

IUPAC4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O3S/c1-23(20,21)12-14-11-15(19-7-9-22-10-8-19)18-16(17-14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKeyATWTWEBSSHJSEC-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.52
Rot. Bonds4

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

4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine (PubChem CID 1476679) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine
PubChem CID1476679
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O3S/c1-23(20,21)12-14-11-15(19-7-9-22-10-8-19)18-16(17-14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKeyATWTWEBSSHJSEC-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-1-(4-(7,7-dimethyl-4-(3-methylmorpholino)-6,6-dioxido-5,7-dihydrothieno(3,4-d)pyrimidin-2-yl)phenyl)-3-ethylurea
CID 71547699
1-[4-[4-(1-cyclopropylsulfonylcyclopropyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-(2-hydroxyethyl)thiourea
CID 25168990
4-{2-Methyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}morpholine
CID 1476655
[3-[4-(Methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]methanol
CID 58137137
4-(Methanesulfonylmethyl)-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine
CID 1476707
4-[6-(1-Methylsulfonylcyclopropyl)-2-phenylpyrimidin-4-yl]morpholine
CID 71584165
4-(2-Phenyl-6-trifluoromethyl-pyrimidin-4-yl)-morpholine
CID 796071
4-Morpholino-2-(oxiran-2-ylmethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile
CID 45029198
4-(2,6-Diphenyl-pyrimidin-4-yl)-morpholine
CID 656281
1-[4-[4-(Cyclohexylsulfonylmethyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-methyl-urea
CID 24803339
1-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-phenylurea
CID 24803991
1-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-propan-2-ylurea
CID 24803992

Frequently Asked Questions

What is the IUPAC name of 4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine (CID 1476679) is 4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine is CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine?
The InChIKey is ATWTWEBSSHJSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-23(20,21)12-14-11-15(19-7-9-22-10-8-19)18-16(17-14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine?
4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine has a molecular weight of 333.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methylsulfonylmethyl)-2-phenylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 1476679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).