dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane

C15H22N6O2S — CID 137417674

IUPACdimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
SMILESCc1cn(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cn1
InChIInChI=1S/C15H22N6O2S/c1-11-8-20(10-16-11)15-17-13(19-24(3,4)22)7-14(18-15)21-5-6-23-9-12(21)2/h7-8,10,12H,5-6,9H2,1-4H3/t12-/m1/s1
InChIKeyILBXDXZHUMOPQA-GFCCVEGCSA-N
MW350.45 g/mol
LogP1.55
Rot. Bonds3

About dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane

dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane (PubChem CID 137417674) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namedimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
PubChem CID137417674
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Namedimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
SMILESCc1cn(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cn1
InChIInChI=1S/C15H22N6O2S/c1-11-8-20(10-16-11)15-17-13(19-24(3,4)22)7-14(18-15)21-5-6-23-9-12(21)2/h7-8,10,12H,5-6,9H2,1-4H3/t12-/m1/s1
InChIKeyILBXDXZHUMOPQA-GFCCVEGCSA-N
XLogP1.55
TPSA85.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The IUPAC name of dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane (CID 137417674) is dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane.
What is the SMILES notation for dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The canonical SMILES for dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane is Cc1cn(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cn1.
What is the InChIKey of dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The InChIKey is ILBXDXZHUMOPQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-11-8-20(10-16-11)15-17-13(19-24(3,4)22)7-14(18-15)21-5-6-23-9-12(21)2/h7-8,10,12H,5-6,9H2,1-4H3/t12-/m1/s1.
What are the key properties of dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane?
dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane has a molecular weight of 350.45 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane is sourced from PubChem (CID 137417674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).