1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

C14H21N5O — CID 56894712

IUPAC1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1nc2c(c(NCCCN3CCCC3=O)n1)CNC2
InChIInChI=1S/C14H21N5O/c1-10-17-12-9-15-8-11(12)14(18-10)16-5-3-7-19-6-2-4-13(19)20/h15H,2-9H2,1H3,(H,16,17,18)
InChIKeyCFNJLXLFTRNAPK-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.81
Rot. Bonds5

About 1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 56894712) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
PubChem CID56894712
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1nc2c(c(NCCCN3CCCC3=O)n1)CNC2
InChIInChI=1S/C14H21N5O/c1-10-17-12-9-15-8-11(12)14(18-10)16-5-3-7-19-6-2-4-13(19)20/h15H,2-9H2,1H3,(H,16,17,18)
InChIKeyCFNJLXLFTRNAPK-UHFFFAOYSA-N
XLogP0.81
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-1-methyl-3-oxopropyl]acetamide
CID 56741666
(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 70710527
(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide
CID 70727940
(4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethyl-L-prolinamide
CID 70766730
1-(2,4-Diamino-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone
CID 267677
4-[(3R)-3-aminopyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 165671954
(3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 95144260
N-methyl-2-[(3R)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 129625052
1-[4-(Dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone
CID 134410661
1-[3-ethynyl-4-(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 156843632
N-[2-[(2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-methylamino]ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 164111631
N-(4-pyrrolidin-1-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)acetamide;2,2,2-trifluoroacetic acid
CID 175750405

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (CID 56894712) is 1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is Cc1nc2c(c(NCCCN3CCCC3=O)n1)CNC2.
What is the InChIKey of 1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is CFNJLXLFTRNAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-17-12-9-15-8-11(12)14(18-10)16-5-3-7-19-6-2-4-13(19)20/h15H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 275.36 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 56894712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).