imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane

C17H29N5O3S — CID 166756320

IUPACimino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C(C)(C)c1cc(N2CCOC[C@H]2C)nc(N2CCOCC2)n1
InChIInChI=1S/C17H29N5O3S/c1-13-12-25-10-7-22(13)15-11-14(17(2,3)26(4,18)23)19-16(20-15)21-5-8-24-9-6-21/h11,13,18H,5-10,12H2,1-4H3/t13-,26?/m1/s1
InChIKeyIWNPSBLQQMZPDF-OLADXZERSA-N
MW383.52 g/mol
LogP1.45
Rot. Bonds4

About imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane

imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane (PubChem CID 166756320) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane
PubChem CID166756320
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC Nameimino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C(C)(C)c1cc(N2CCOC[C@H]2C)nc(N2CCOCC2)n1
InChIInChI=1S/C17H29N5O3S/c1-13-12-25-10-7-22(13)15-11-14(17(2,3)26(4,18)23)19-16(20-15)21-5-8-24-9-6-21/h11,13,18H,5-10,12H2,1-4H3/t13-,26?/m1/s1
InChIKeyIWNPSBLQQMZPDF-OLADXZERSA-N
XLogP1.45
TPSA91.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]piperidin-4-amine
CID 57427723
4-[4-(2-cyclopropylsulfonylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]aniline
CID 59380128
(3S)-4-[6-(2-ethylsulfonylpropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 141203702
(2R,6S)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine
CID 68506449
4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
CID 147484596
(3S)-3-methyl-4-[6-(2-methylsulfonylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
CID 25175884
1-[2,6-difluoro-4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]phenyl]-3-ethylurea
CID 57427699
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
CID 167996467
CID 167996467
2-[4-chloro-6-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-2-ol
CID 166983217
1-[4-[4-(2-cyclopropylsulfonylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 57462665
(3R)-4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-methylmorpholine
CID 138660464

Frequently Asked Questions

What is the IUPAC name of imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane (CID 166756320) is imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane is [H]N=S(C)(=O)C(C)(C)c1cc(N2CCOC[C@H]2C)nc(N2CCOCC2)n1.
What is the InChIKey of imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane?
The InChIKey is IWNPSBLQQMZPDF-OLADXZERSA-N. The full InChI is InChI=1S/C17H29N5O3S/c1-13-12-25-10-7-22(13)15-11-14(17(2,3)26(4,18)23)19-16(20-15)21-5-8-24-9-6-21/h11,13,18H,5-10,12H2,1-4H3/t13-,26?/m1/s1.
What are the key properties of imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane?
imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane has a molecular weight of 383.52 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane is sourced from PubChem (CID 166756320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).