imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane

C19H24N4O2S2 — CID 166756227

IUPACimino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane
SMILES[H]N=S(=O)(c1ccccc1)C1(c2cc(N3CCOC[C@H]3C)nc(SC)n2)CC1
InChIInChI=1S/C19H24N4O2S2/c1-14-13-25-11-10-23(14)17-12-16(21-18(22-17)26-2)19(8-9-19)27(20,24)15-6-4-3-5-7-15/h3-7,12,14,20H,8-11,13H2,1-2H3/t14-,27?/m1/s1
InChIKeyMGJBFMGMGPSXLF-VPTPNUDRSA-N
MW404.56 g/mol
LogP3.52
Rot. Bonds5

About imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane

imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane (PubChem CID 166756227) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Nameimino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane
PubChem CID166756227
Molecular FormulaC19H24N4O2S2
Molecular Weight404.56 g/mol
Exact Mass404.13
IUPAC Nameimino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane
SMILES[H]N=S(=O)(c1ccccc1)C1(c2cc(N3CCOC[C@H]3C)nc(SC)n2)CC1
InChIInChI=1S/C19H24N4O2S2/c1-14-13-25-11-10-23(14)17-12-16(21-18(22-17)26-2)19(8-9-19)27(20,24)15-6-4-3-5-7-15/h3-7,12,14,20H,8-11,13H2,1-2H3/t14-,27?/m1/s1
InChIKeyMGJBFMGMGPSXLF-VPTPNUDRSA-N
XLogP3.52
TPSA79.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 166756222
CID 167996467
CID 167996467
imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane
CID 171463158
(3S)-4-[6-[1-(benzenesulfonyl)cyclobutyl]-2-chloropyrimidin-4-yl]-3-methylmorpholine;(3S)-4-[2-chloro-6-[1-(4-methylphenyl)sulfonylcyclobutyl]pyrimidin-4-yl]-3-methylmorpholine
CID 157257781
1-[4-[(3R)-3-methylmorpholin-4-yl]-6-methylsulfanyl-1,3,5-triazin-2-yl]cyclopropane-1-sulfonamide
CID 171463146
[4-[4-[1-(2-fluorophenyl)sulfonylcyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]carbamic acid
CID 68954130
2-[4-[4-[1-(benzenesulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-carbamoylanilino]acetic acid
CID 68842791
[4-[4-[1-(2,6-difluorophenyl)sulfonylcyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]carbamic acid
CID 68951133
imino-methyl-[1-[2-[(3R)-3-methylmorpholin-4-yl]-6-naphthalen-1-ylpyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 166756257
(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
CID 141272787
1-cyclopropyl-3-[4-[4-[1-(2-fluorophenyl)sulfonylcyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]urea
CID 68956815
imino-methyl-[1-[6-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 119081226

Frequently Asked Questions

What is the IUPAC name of imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane?
The IUPAC name of imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane (CID 166756227) is imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane?
The canonical SMILES for imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane is [H]N=S(=O)(c1ccccc1)C1(c2cc(N3CCOC[C@H]3C)nc(SC)n2)CC1.
What is the InChIKey of imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane?
The InChIKey is MGJBFMGMGPSXLF-VPTPNUDRSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c1-14-13-25-11-10-23(14)17-12-16(21-18(22-17)26-2)19(8-9-19)27(20,24)15-6-4-3-5-7-15/h3-7,12,14,20H,8-11,13H2,1-2H3/t14-,27?/m1/s1.
What are the key properties of imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane?
imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane has a molecular weight of 404.56 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 166756227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).