1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

C19H23ClN6O — CID 25185973

IUPAC1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCN(C)c1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccccc3)c2n1
InChIInChI=1S/C19H23ClN6O/c1-24(2)19-22-17(25-8-10-27-11-9-25)15-12-21-26(18(15)23-19)13-16(20)14-6-4-3-5-7-14/h3-7,12,16H,8-11,13H2,1-2H3
InChIKeyPILUHXMDBJGVEZ-UHFFFAOYSA-N
MW386.89 g/mol
LogP2.71
Rot. Bonds5

About 1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 25185973) has the molecular formula C19H23ClN6O and a molecular weight of 386.89 g/mol. Its IUPAC name is 1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID25185973
Molecular FormulaC19H23ClN6O
Molecular Weight386.89 g/mol
Exact Mass386.16
IUPAC Name1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCN(C)c1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccccc3)c2n1
InChIInChI=1S/C19H23ClN6O/c1-24(2)19-22-17(25-8-10-27-11-9-25)15-12-21-26(18(15)23-19)13-16(20)14-6-4-3-5-7-14/h3-7,12,16H,8-11,13H2,1-2H3
InChIKeyPILUHXMDBJGVEZ-UHFFFAOYSA-N
XLogP2.71
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 25185973) is 1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is CN(C)c1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccccc3)c2n1.
What is the InChIKey of 1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is PILUHXMDBJGVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O/c1-24(2)19-22-17(25-8-10-27-11-9-25)15-12-21-26(18(15)23-19)13-16(20)14-6-4-3-5-7-14/h3-7,12,16H,8-11,13H2,1-2H3.
What are the key properties of 1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 386.89 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 25185973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).