4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine

C17H19N5O2 — CID 70702024

IUPAC4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine
SMILESCn1ncc2c(OCc3ccccc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H19N5O2/c1-21-15-14(11-18-21)16(24-12-13-5-3-2-4-6-13)20-17(19-15)22-7-9-23-10-8-22/h2-6,11H,7-10,12H2,1H3
InChIKeyBKCAVWOTAZBIBF-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.78
Rot. Bonds4

About 4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine

4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine (PubChem CID 70702024) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine.

Molecular Properties

Compound Name4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine
PubChem CID70702024
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine
SMILESCn1ncc2c(OCc3ccccc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H19N5O2/c1-21-15-14(11-18-21)16(24-12-13-5-3-2-4-6-13)20-17(19-15)22-7-9-23-10-8-22/h2-6,11H,7-10,12H2,1H3
InChIKeyBKCAVWOTAZBIBF-UHFFFAOYSA-N
XLogP1.78
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine?
The IUPAC name of 4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine (CID 70702024) is 4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine.
What is the SMILES notation for 4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine?
The canonical SMILES for 4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine is Cn1ncc2c(OCc3ccccc3)nc(N3CCOCC3)nc21.
What is the InChIKey of 4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine?
The InChIKey is BKCAVWOTAZBIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-15-14(11-18-21)16(24-12-13-5-3-2-4-6-13)20-17(19-15)22-7-9-23-10-8-22/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine?
4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine has a molecular weight of 325.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-4-phenylmethoxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine is sourced from PubChem (CID 70702024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).