N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide

C13H18N6O — CID 70707695

IUPACN-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncnc3c2c(C)nn3C)C1
InChIInChI=1S/C13H18N6O/c1-8-11-12(18(3)17-8)14-7-15-13(11)19-5-4-10(6-19)16-9(2)20/h7,10H,4-6H2,1-3H3,(H,16,20)
InChIKeyBJZYIKJDZQXCFP-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.39
Rot. Bonds2

About N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide

N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 70707695) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID70707695
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncnc3c2c(C)nn3C)C1
InChIInChI=1S/C13H18N6O/c1-8-11-12(18(3)17-8)14-7-15-13(11)19-5-4-10(6-19)16-9(2)20/h7,10H,4-6H2,1-3H3,(H,16,20)
InChIKeyBJZYIKJDZQXCFP-UHFFFAOYSA-N
XLogP0.39
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-3-[[9-ethyl-8-(1-ethyl-5-methylpyrazol-4-yl)purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168822
1-[(3R)-3-(4-amino-3-ethynylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
CID 137349495
1-[3-[[8-(1-Ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]azetidin-1-yl]propan-1-one
CID 74763795
1-[(3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168772
1-[(3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-propylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168847
1-[(3R)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168935
N-[(1-isobutyl-3-pyrrolidinyl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56906371
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70705673
N-[1-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70720768
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70751994
N-[(3S)-1-(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyrrolidinyl]acetamide
CID 70772230
1,3-dimethyl-N-(1H-tetrazol-5-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899250

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide (CID 70707695) is N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2ncnc3c2c(C)nn3C)C1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is BJZYIKJDZQXCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-8-11-12(18(3)17-8)14-7-15-13(11)19-5-4-10(6-19)16-9(2)20/h7,10H,4-6H2,1-3H3,(H,16,20).
What are the key properties of N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 274.33 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70707695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).