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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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).