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

C16H18ClN3OS — CID 1489495

IUPAC4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(CSc2ccc(Cl)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H18ClN3OS/c1-12-18-14(11-22-15-4-2-13(17)3-5-15)10-16(19-12)20-6-8-21-9-7-20/h2-5,10H,6-9,11H2,1H3
InChIKeyUIAQJMYGQODMHA-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.57
Rot. Bonds4

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

4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine (PubChem CID 1489495) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine
PubChem CID1489495
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(CSc2ccc(Cl)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H18ClN3OS/c1-12-18-14(11-22-15-4-2-13(17)3-5-15)10-16(19-12)20-6-8-21-9-7-20/h2-5,10H,6-9,11H2,1H3
InChIKeyUIAQJMYGQODMHA-UHFFFAOYSA-N
XLogP3.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.57
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-(2-pyridinyl)-4-pyrimidinyl)morpholine
CID 1489499
4-(6-{[(4-Chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)-2,6-dimethylmorpholine
CID 3833696
4-(6-(((4-Chlorophenyl)sulfonyl)methyl)-2-methyl-4-pyrimidinyl)morpholine
CID 1479479
2-(4-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl isopropyl sulfide
CID 852308
2-(4-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl ethyl sulfide
CID 852318
4-[2-(2,6-Dichloro-benzylsulfanyl)-6-methyl-pyrimidin-4-yl]-morpholine
CID 1136274
4-[2-[(2,4-Dichlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]morpholine
CID 1484540
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-(4-morpholinyl)-4-pyrimidinyl propyl sulfide
CID 7315396

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine (CID 1489495) is 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine is Cc1nc(CSc2ccc(Cl)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is UIAQJMYGQODMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-12-18-14(11-22-15-4-2-13(17)3-5-15)10-16(19-12)20-6-8-21-9-7-20/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine?
4-[6-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 335.86 g/mol, XLogP of 3.57, 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]morpholine is sourced from PubChem (CID 1489495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).