N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H27N5O2S — CID 139502677

IUPACN-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@@H]1CN(S(=O)CC2CC(N(C)c3ncnc4[nH]ccc34)C2)[C@H](C)CO1
InChIInChI=1S/C18H27N5O2S/c1-12-9-25-13(2)8-23(12)26(24)10-14-6-15(7-14)22(3)18-16-4-5-19-17(16)20-11-21-18/h4-5,11-15H,6-10H2,1-3H3,(H,19,20,21)/t12-,13-,14?,15?,26?/m1/s1
InChIKeyFRHPSIFJADRNLW-UVXRUUILSA-N
MW377.51 g/mol
LogP1.95
Rot. Bonds5

About N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139502677) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139502677
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@@H]1CN(S(=O)CC2CC(N(C)c3ncnc4[nH]ccc34)C2)[C@H](C)CO1
InChIInChI=1S/C18H27N5O2S/c1-12-9-25-13(2)8-23(12)26(24)10-14-6-15(7-14)22(3)18-16-4-5-19-17(16)20-11-21-18/h4-5,11-15H,6-10H2,1-3H3,(H,19,20,21)/t12-,13-,14?,15?,26?/m1/s1
InChIKeyFRHPSIFJADRNLW-UVXRUUILSA-N
XLogP1.95
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-N-[3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 139502685
N-methyl-N-[3-[[4-(trifluoromethyl)piperidin-1-yl]sulfinylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 139502284
cyclopropyl-[3-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfinyl]azetidin-1-yl]methanone
CID 139502440
N-[3-[[4-(2-methoxyethoxy)piperidin-1-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 139502704
5-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfinate
CID 135190947
1-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutane-1,3-diamine;phosphoric acid
CID 166437336
N-[3-[(1-cyclobutylazetidin-3-yl)sulfonylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118868822
N-cyclobutyl-N-methyl-1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 118868782
1-[5-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 78137425
N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide
CID 118868734
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160618729
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22484511

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 139502677) is N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is C[C@@H]1CN(S(=O)CC2CC(N(C)c3ncnc4[nH]ccc34)C2)[C@H](C)CO1.
What is the InChIKey of N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FRHPSIFJADRNLW-UVXRUUILSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-12-9-25-13(2)8-23(12)26(24)10-14-6-15(7-14)22(3)18-16-4-5-19-17(16)20-11-21-18/h4-5,11-15H,6-10H2,1-3H3,(H,19,20,21)/t12-,13-,14?,15?,26?/m1/s1.
What are the key properties of N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 377.51 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfinylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139502677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).