5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one

C20H27N5O4 — CID 172904093

IUPAC5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one
SMILESCOc1coc(CN2CCC(N(C)c3ccnc(N4CCOCC4)n3)C2)cc1=O
InChIInChI=1S/C20H27N5O4/c1-23(19-3-5-21-20(22-19)25-7-9-28-10-8-25)15-4-6-24(12-15)13-16-11-17(26)18(27-2)14-29-16/h3,5,11,14-15H,4,6-10,12-13H2,1-2H3
InChIKeyOVAZYBSGKITSHB-UHFFFAOYSA-N
MW401.47 g/mol
LogP0.99
Rot. Bonds6

About 5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one

5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one (PubChem CID 172904093) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one
PubChem CID172904093
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one
SMILESCOc1coc(CN2CCC(N(C)c3ccnc(N4CCOCC4)n3)C2)cc1=O
InChIInChI=1S/C20H27N5O4/c1-23(19-3-5-21-20(22-19)25-7-9-28-10-8-25)15-4-6-24(12-15)13-16-11-17(26)18(27-2)14-29-16/h3,5,11,14-15H,4,6-10,12-13H2,1-2H3
InChIKeyOVAZYBSGKITSHB-UHFFFAOYSA-N
XLogP0.99
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one with MolForge

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Related Compounds

N-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172903374
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901800
N-[1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 175650362
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892594
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901801
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902048
N-methyl-2-morpholin-4-yl-N-[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902619
N-methyl-2-morpholin-4-yl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902281
3-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]benzonitrile
CID 172903109
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902400
N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902455
N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172893196

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one (CID 172904093) is 5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one is COc1coc(CN2CCC(N(C)c3ccnc(N4CCOCC4)n3)C2)cc1=O.
What is the InChIKey of 5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one?
The InChIKey is OVAZYBSGKITSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-23(19-3-5-21-20(22-19)25-7-9-28-10-8-25)15-4-6-24(12-15)13-16-11-17(26)18(27-2)14-29-16/h3,5,11,14-15H,4,6-10,12-13H2,1-2H3.
What are the key properties of 5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one?
5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one has a molecular weight of 401.47 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 172904093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).