4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine

C18H22ClN3OS — CID 3833696

IUPAC4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCc1nc(CSc2ccc(Cl)cc2)cc(N2CC(C)OC(C)C2)n1
InChIInChI=1S/C18H22ClN3OS/c1-12-9-22(10-13(2)23-12)18-8-16(20-14(3)21-18)11-24-17-6-4-15(19)5-7-17/h4-8,12-13H,9-11H2,1-3H3
InChIKeyAHOLCSNBDHKBQQ-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.34
Rot. Bonds4

About 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine

4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 3833696) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine
PubChem CID3833696
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC Name4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCc1nc(CSc2ccc(Cl)cc2)cc(N2CC(C)OC(C)C2)n1
InChIInChI=1S/C18H22ClN3OS/c1-12-9-22(10-13(2)23-12)18-8-16(20-14(3)21-18)11-24-17-6-4-15(19)5-7-17/h4-8,12-13H,9-11H2,1-3H3
InChIKeyAHOLCSNBDHKBQQ-UHFFFAOYSA-N
XLogP4.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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)sulfonyl)methyl)-2-methyl-4-pyrimidinyl)morpholine
CID 1479479
4-[2-(2,6-Dichloro-benzylsulfanyl)-6-methyl-pyrimidin-4-yl]-morpholine
CID 1136274
4-(6-{[(4-Chlorophenyl)sulfinyl]methyl}-2-methyl-4-pyrimidinyl)morpholine
CID 1476661
4-{2-Methyl-6-[(phenylsulfinyl)methyl]-4-pyrimidinyl}morpholine
CID 1476651
N-(6-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)-N-methylamine
CID 1476642
2-(2-Chlorophenyl)-6-(2,6-dimethyl-4-morpholinyl)-4-pyrimidinyl ethyl sulfide
CID 5178600
4-(4-{4-[(4-Chlorophenyl)sulfonyl]-1-piperazinyl}-6-methyl-2-pyrimidinyl)morpholine
CID 50947997
4-[2-Chloro-6-[(4-fluorophenyl)sulfonylmethyl]pyrimidin-4-yl]morpholine
CID 57546611
(3S)-4-[2-chloro-6-[(3,4-difluorophenyl)sulfonylmethyl]pyrimidin-4-yl]-3-methylmorpholine
CID 57546704

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine (CID 3833696) is 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine is Cc1nc(CSc2ccc(Cl)cc2)cc(N2CC(C)OC(C)C2)n1.
What is the InChIKey of 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is AHOLCSNBDHKBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c1-12-9-22(10-13(2)23-12)18-8-16(20-14(3)21-18)11-24-17-6-4-15(19)5-7-17/h4-8,12-13H,9-11H2,1-3H3.
What are the key properties of 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine?
4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 363.91 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 3833696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).