3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H19N5 — CID 24864847

IUPAC3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21
InChIInChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)
InChIKeyQFGDRGRJMYSRIW-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.73
Rot. Bonds3

About 3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24864847) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24864847
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21
InChIInChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22)
InChIKeyQFGDRGRJMYSRIW-UHFFFAOYSA-N
XLogP3.73
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
Unc569
CID 53355503
1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
CID 97338
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3MB-PP1
CID 24865390
N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24882195
1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905144
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24864847) is 3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21.
What is the InChIKey of 3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QFGDRGRJMYSRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22).
What are the key properties of 3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24864847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).