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

C15H22N6O2S — CID 142518006

IUPACdimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
SMILESCc1nccn1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C15H22N6O2S/c1-11-10-23-8-7-20(11)14-9-13(19-24(3,4)22)17-15(18-14)21-6-5-16-12(21)2/h5-6,9,11H,7-8,10H2,1-4H3/t11-/m1/s1
InChIKeyNUKOWZPDFFWVQV-LLVKDONJSA-N
MW350.45 g/mol
LogP1.55
Rot. Bonds3

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

dimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane (PubChem CID 142518006) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is dimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane.

Molecular Properties

Compound Namedimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
PubChem CID142518006
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Namedimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
SMILESCc1nccn1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C15H22N6O2S/c1-11-10-23-8-7-20(11)14-9-13(19-24(3,4)22)17-15(18-14)21-6-5-16-12(21)2/h5-6,9,11H,7-8,10H2,1-4H3/t11-/m1/s1
InChIKeyNUKOWZPDFFWVQV-LLVKDONJSA-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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Related Compounds

dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-propylimidazol-1-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;ethane
CID 142518092
[2-(benzimidazol-1-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137405562
[2-(benzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane
CID 137405601
dimethyl-[6-(3-methylmorpholin-4-yl)-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 174205306
dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-[2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 137417745
6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
CID 137417699
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane
CID 139486658
4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 137417888
dimethyl-[[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]imino]-oxo-λ6-sulfane
CID 176598541
[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 157051682
butyl-[2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-λ6-sulfane
CID 137417709

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The IUPAC name of dimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane (CID 142518006) is dimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane.
What is the SMILES notation for dimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The canonical SMILES for dimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane is Cc1nccn1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1.
What is the InChIKey of dimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The InChIKey is NUKOWZPDFFWVQV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-11-10-23-8-7-20(11)14-9-13(19-24(3,4)22)17-15(18-14)21-6-5-16-12(21)2/h5-6,9,11H,7-8,10H2,1-4H3/t11-/m1/s1.
What are the key properties of dimethyl-[2-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane?
dimethyl-[2-(2-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-(2-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane is sourced from PubChem (CID 142518006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).