4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine

C16H18ClN3O3S — CID 1479479

IUPAC4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H18ClN3O3S/c1-12-18-14(10-16(19-12)20-6-8-23-9-7-20)11-24(21,22)15-4-2-13(17)3-5-15/h2-5,10H,6-9,11H2,1H3
InChIKeyDTVPQOMQZGSJRP-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.25
Rot. Bonds4

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

4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine (PubChem CID 1479479) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine
PubChem CID1479479
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H18ClN3O3S/c1-12-18-14(10-16(19-12)20-6-8-23-9-7-20)11-24(21,22)15-4-2-13(17)3-5-15/h2-5,10H,6-9,11H2,1H3
InChIKeyDTVPQOMQZGSJRP-UHFFFAOYSA-N
XLogP2.25
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-{2-Methyl-6-[(phenylsulfonyl)methyl]-4-pyrimidinyl}morpholine
CID 1476655
4-(6-{[(4-Chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)morpholine
CID 1489495
4-(6-(((4-Chlorophenyl)sulfanyl)methyl)-2-(2-pyridinyl)-4-pyrimidinyl)morpholine
CID 1489499
4-(6-{[(4-Chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)-2,6-dimethylmorpholine
CID 3833696
(6-Chloro-2-methyl-4-pyrimidinyl)methyl 4-chlorophenyl sulfone
CID 1476657
4-(4-Chlorophenyl)sulfanyl-6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidine
CID 1479463
(6-((4-Chlorophenyl)sulfanyl)-2-methyl-4-pyrimidinyl)methyl phenyl sulfone
CID 1479464
4-[2-[(3-Chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 118720107
4-(6-{[(4-Chlorophenyl)sulfinyl]methyl}-2-methyl-4-pyrimidinyl)morpholine
CID 1476661
4-{2-Methyl-6-[(phenylsulfinyl)methyl]-4-pyrimidinyl}morpholine
CID 1476651
4-[5-(4-Chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine
CID 2819306
4-(4-((4-Chlorophenyl)sulfonyl)piperazin-1-yl)-2-methyl-6-(trifluoromethyl)pyrimidine
CID 91631648

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine (CID 1479479) is 4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine is Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is DTVPQOMQZGSJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-12-18-14(10-16(19-12)20-6-8-23-9-7-20)11-24(21,22)15-4-2-13(17)3-5-15/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine?
4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 367.86 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-chlorophenyl)sulfonylmethyl]-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 1479479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).