imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane

C14H22N4O3S — CID 171463158

IUPACimino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(OC)n2)CC1
InChIInChI=1S/C14H22N4O3S/c1-10-9-21-7-6-18(10)12-8-11(16-13(17-12)20-2)14(4-5-14)22(3,15)19/h8,10,15H,4-7,9H2,1-3H3/t10-,22?/m1/s1
InChIKeyZNEWDTMTUBOJJY-FASBAMGMSA-N
MW326.42 g/mol
LogP1.38
Rot. Bonds4

About imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane

imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane (PubChem CID 171463158) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane
PubChem CID171463158
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Nameimino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(OC)n2)CC1
InChIInChI=1S/C14H22N4O3S/c1-10-9-21-7-6-18(10)12-8-11(16-13(17-12)20-2)14(4-5-14)22(3,15)19/h8,10,15H,4-7,9H2,1-3H3/t10-,22?/m1/s1
InChIKeyZNEWDTMTUBOJJY-FASBAMGMSA-N
XLogP1.38
TPSA88.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 167996467
CID 167996467
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 166756222
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
[1-[2-(5-tert-butyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-imino-methyl-oxo-λ6-sulfane
CID 154961462
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 154961493
(3R)-3-methyl-4-[6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
CID 141272787
imino-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]oxan-4-yl]-methyl-oxo-λ6-sulfane
CID 54762020
imino-methyl-[1-[2-[(3R)-3-methylmorpholin-4-yl]-6-naphthalen-1-ylpyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
CID 166756257
4-fluoro-N-methyl-7-[4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl]-1H-benzimidazol-2-amine
CID 54761647
4-fluoro-N-methyl-7-[4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl]-1H-benzimidazol-2-amine
CID 54761646
(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine
CID 166927953
imino-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-oxo-phenyl-λ6-sulfane
CID 166756227

Frequently Asked Questions

What is the IUPAC name of imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane (CID 171463158) is imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(OC)n2)CC1.
What is the InChIKey of imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane?
The InChIKey is ZNEWDTMTUBOJJY-FASBAMGMSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-10-9-21-7-6-18(10)12-8-11(16-13(17-12)20-2)14(4-5-14)22(3,15)19/h8,10,15H,4-7,9H2,1-3H3/t10-,22?/m1/s1.
What are the key properties of imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane?
imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane has a molecular weight of 326.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[1-[2-methoxy-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 171463158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).