4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one

C15H22N6O — CID 56890103

IUPAC4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1nc(NCC2CC(=O)N(C(C)C)C2)c2cnn(C)c2n1
InChIInChI=1S/C15H22N6O/c1-9(2)21-8-11(5-13(21)22)6-16-14-12-7-17-20(4)15(12)19-10(3)18-14/h7,9,11H,5-6,8H2,1-4H3,(H,16,18,19)
InChIKeyWOKFEVRSRMADNW-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.34
Rot. Bonds4

About 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one

4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 56890103) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID56890103
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1nc(NCC2CC(=O)N(C(C)C)C2)c2cnn(C)c2n1
InChIInChI=1S/C15H22N6O/c1-9(2)21-8-11(5-13(21)22)6-16-14-12-7-17-20(4)15(12)19-10(3)18-14/h7,9,11H,5-6,8H2,1-4H3,(H,16,18,19)
InChIKeyWOKFEVRSRMADNW-UHFFFAOYSA-N
XLogP1.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one with MolForge

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Related Compounds

(3R)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 99816751
1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166185839
4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
CID 138023130
1-(2,6-difluorophenyl)-4-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 126772380
N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 138019388
ethyl (2R,3S)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-methylbutanoate
CID 99843622
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56903299
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one
CID 63221053
(5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 95717074
1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72853746
1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 47292699
6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95271681

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one (CID 56890103) is 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one is Cc1nc(NCC2CC(=O)N(C(C)C)C2)c2cnn(C)c2n1.
What is the InChIKey of 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is WOKFEVRSRMADNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-9(2)21-8-11(5-13(21)22)6-16-14-12-7-17-20(4)15(12)19-10(3)18-14/h7,9,11H,5-6,8H2,1-4H3,(H,16,18,19).
What are the key properties of 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one?
4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 56890103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).