(4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

C16H24N6O — CID 95894684

IUPAC(4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](CN(C)c2nc(C)nc3c2c(C)nn3C)CC1=O
InChIInChI=1S/C16H24N6O/c1-6-22-9-12(7-13(22)23)8-20(4)15-14-10(2)19-21(5)16(14)18-11(3)17-15/h12H,6-9H2,1-5H3/t12-/m1/s1
InChIKeyJPJRGOSKZFXHOA-GFCCVEGCSA-N
MW316.41 g/mol
LogP1.28
Rot. Bonds4

About (4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

(4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 95894684) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is (4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
PubChem CID95894684
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name(4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](CN(C)c2nc(C)nc3c2c(C)nn3C)CC1=O
InChIInChI=1S/C16H24N6O/c1-6-22-9-12(7-13(22)23)8-20(4)15-14-10(2)19-21(5)16(14)18-11(3)17-15/h12H,6-9H2,1-5H3/t12-/m1/s1
InChIKeyJPJRGOSKZFXHOA-GFCCVEGCSA-N
XLogP1.28
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7,8-Trimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 72704900
N-[(1-isobutyl-3-pyrrolidinyl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56906371
N-{[1-(2-methoxyethyl)-3-pyrrolidinyl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56912322
N-[1-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70707695
N-[1-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70720768
N-[(3S)-1-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyrrolidinyl]acetamide
CID 70772230
8-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70731533
1-butyl-4-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-piperazinone
CID 70757842
N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 95882675
1-(1-{5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)-4-(fluoromethyl)pyrrolidin-2-one
CID 126899753
1-{5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-3-fluoropyrrolidine-3-carboxamide
CID 156008782
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl-methylamino]-5-fluoro-6-methyl-5H-pyrimidin-4-one
CID 168002131

Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (CID 95894684) is (4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is CCN1C[C@@H](CN(C)c2nc(C)nc3c2c(C)nn3C)CC1=O.
What is the InChIKey of (4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is JPJRGOSKZFXHOA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N6O/c1-6-22-9-12(7-13(22)23)8-20(4)15-14-10(2)19-21(5)16(14)18-11(3)17-15/h12H,6-9H2,1-5H3/t12-/m1/s1.
What are the key properties of (4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
(4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 316.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-4-[[methyl-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95894684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).