N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C19H24N6O — CID 133312334

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(C)C1(CNc2ncnc3c2cnn3-c2ccccc2)CCOCC1
InChIInChI=1S/C19H24N6O/c1-24(2)19(8-10-26-11-9-19)13-20-17-16-12-23-25(18(16)22-14-21-17)15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,21,22)
InChIKeyYSPKQMMNIXAFBQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.34
Rot. Bonds5

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133312334) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133312334
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN(C)C1(CNc2ncnc3c2cnn3-c2ccccc2)CCOCC1
InChIInChI=1S/C19H24N6O/c1-24(2)19(8-10-26-11-9-19)13-20-17-16-12-23-25(18(16)22-14-21-17)15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,21,22)
InChIKeyYSPKQMMNIXAFBQ-UHFFFAOYSA-N
XLogP2.34
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 105419063
N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 133285646
N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133312201
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 31882277
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17393784
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 78878674
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
N-[(2-chlorophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 866514

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 133312334) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CN(C)C1(CNc2ncnc3c2cnn3-c2ccccc2)CCOCC1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YSPKQMMNIXAFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-24(2)19(8-10-26-11-9-19)13-20-17-16-12-23-25(18(16)22-14-21-17)15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3,(H,20,21,22).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133312334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).