N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C16H19N5 — CID 61168228

IUPACN-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)CNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H19N5/c1-16(2,3)10-17-14-13-9-20-21(15(13)19-11-18-14)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,17,18,19)
InChIKeyCXQUMDYKALTUMU-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.27
Rot. Bonds3

About N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 61168228) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID61168228
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)CNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H19N5/c1-16(2,3)10-17-14-13-9-20-21(15(13)19-11-18-14)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,17,18,19)
InChIKeyCXQUMDYKALTUMU-UHFFFAOYSA-N
XLogP3.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
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
N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 78878674
N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133312334
2-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730689
1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 57196440
2,2,4-trimethyl-1-[(1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-3-ol
CID 109377371
N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 133285646
1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022262
3-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83179391

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 61168228) is N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)CNc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CXQUMDYKALTUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-16(2,3)10-17-14-13-9-20-21(15(13)19-11-18-14)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,17,18,19).
What are the key properties of N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 61168228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).