N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C18H24N6O — CID 94519626

IUPACN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NC[C@@H](c2ccco2)N2CCCCC2)c2cnn(C)c2n1
InChIInChI=1S/C18H24N6O/c1-13-21-17(14-11-20-23(2)18(14)22-13)19-12-15(16-7-6-10-25-16)24-8-4-3-5-9-24/h6-7,10-11,15H,3-5,8-9,12H2,1-2H3,(H,19,21,22)/t15-/m0/s1
InChIKeyHIUVMGNQMKILBQ-HNNXBMFYSA-N
MW340.43 g/mol
LogP2.90
Rot. Bonds5

About N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 94519626) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID94519626
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NC[C@@H](c2ccco2)N2CCCCC2)c2cnn(C)c2n1
InChIInChI=1S/C18H24N6O/c1-13-21-17(14-11-20-23(2)18(14)22-13)19-12-15(16-7-6-10-25-16)24-8-4-3-5-9-24/h6-7,10-11,15H,3-5,8-9,12H2,1-2H3,(H,19,21,22)/t15-/m0/s1
InChIKeyHIUVMGNQMKILBQ-HNNXBMFYSA-N
XLogP2.90
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 41102735
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191352
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
CID 51300917
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine
CID 51308914
1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166185839
2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56883272
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
2-(furan-2-yl)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethyl]-2-pyrrolidin-1-ylethanamine
CID 126822160
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43181232

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 94519626) is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NC[C@@H](c2ccco2)N2CCCCC2)c2cnn(C)c2n1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HIUVMGNQMKILBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-21-17(14-11-20-23(2)18(14)22-13)19-12-15(16-7-6-10-25-16)24-8-4-3-5-9-24/h6-7,10-11,15H,3-5,8-9,12H2,1-2H3,(H,19,21,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 340.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 94519626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).