6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C18H22N6O — CID 167910918

IUPAC6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)C2CNCCO2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C18H22N6O/c1-12(16-11-19-8-9-25-16)21-17-15-10-20-24(14-6-4-3-5-7-14)18(15)23-13(2)22-17/h3-7,10,12,16,19H,8-9,11H2,1-2H3,(H,21,22,23)
InChIKeyVDGINVAULHGHHR-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.91
Rot. Bonds4

About 6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 167910918) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID167910918
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)C2CNCCO2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C18H22N6O/c1-12(16-11-19-8-9-25-16)21-17-15-10-20-24(14-6-4-3-5-7-14)18(15)23-13(2)22-17/h3-7,10,12,16,19H,8-9,11H2,1-2H3,(H,21,22,23)
InChIKeyVDGINVAULHGHHR-UHFFFAOYSA-N
XLogP1.91
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 167910918) is 6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NC(C)C2CNCCO2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VDGINVAULHGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12(16-11-19-8-9-25-16)21-17-15-10-20-24(14-6-4-3-5-7-14)18(15)23-13(2)22-17/h3-7,10,12,16,19H,8-9,11H2,1-2H3,(H,21,22,23).
What are the key properties of 6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 167910918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).