4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine

C16H18ClN3O2S — CID 11861877

IUPAC4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(C[S@@](=O)c2ccc(Cl)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H18ClN3O2S/c1-12-18-14(10-16(19-12)20-6-8-22-9-7-20)11-23(21)15-4-2-13(17)3-5-15/h2-5,10H,6-9,11H2,1H3/t23-/m1/s1
InChIKeyKZONRLNNGATNLC-HSZRJFAPSA-N
MW351.86 g/mol
LogP2.58
Rot. Bonds4

About 4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine

4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine (PubChem CID 11861877) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine
PubChem CID11861877
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(C[S@@](=O)c2ccc(Cl)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H18ClN3O2S/c1-12-18-14(10-16(19-12)20-6-8-22-9-7-20)11-23(21)15-4-2-13(17)3-5-15/h2-5,10H,6-9,11H2,1H3/t23-/m1/s1
InChIKeyKZONRLNNGATNLC-HSZRJFAPSA-N
XLogP2.58
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine (CID 11861877) is 4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine is Cc1nc(C[S@@](=O)c2ccc(Cl)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is KZONRLNNGATNLC-HSZRJFAPSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-12-18-14(10-16(19-12)20-6-8-22-9-7-20)11-23(21)15-4-2-13(17)3-5-15/h2-5,10H,6-9,11H2,1H3/t23-/m1/s1.
What are the key properties of 4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine?
4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 351.86 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[(R)-(4-chlorophenyl)sulfinyl]methyl]-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 11861877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).