1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H16ClN5O — CID 661257

IUPAC1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN5O/c1-10(8-22-2)20-14-13-7-19-21(15(13)18-9-17-14)12-5-3-11(16)4-6-12/h3-7,9-10H,8H2,1-2H3,(H,17,18,20)
InChIKeyBTFGRCQEMPUWNL-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661257) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661257
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN5O/c1-10(8-22-2)20-14-13-7-19-21(15(13)18-9-17-14)12-5-3-11(16)4-6-12/h3-7,9-10H,8H2,1-2H3,(H,17,18,20)
InChIKeyBTFGRCQEMPUWNL-UHFFFAOYSA-N
XLogP2.92
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
1-Tert-Butyl-N~3~-(3-Chlorophenyl)-1h-Pyrazolo[3,4-D]pyrimidine-3,4-Diamine
CID 129900194
N-butan-2-yl-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 3256374
1-(4-chlorobenzyl)-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 8071339
N-butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219760
N-(4-Chlorophenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219776
ethyl 2-(2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)acetate
CID 652284
N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 866540
4-[1-(4-Chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine
CID 2940041
1-(4-Chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidine
CID 3578502
N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
CID 660991

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 661257) is 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is COCC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BTFGRCQEMPUWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-10(8-22-2)20-14-13-7-19-21(15(13)18-9-17-14)12-5-3-11(16)4-6-12/h3-7,9-10H,8H2,1-2H3,(H,17,18,20).
What are the key properties of 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 317.78 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).