2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

C16H25N5O2 — CID 56885853

IUPAC2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESCCCc1nc(N2CCOC(CCOC)C2)c2cnn(C)c2n1
InChIInChI=1S/C16H25N5O2/c1-4-5-14-18-15-13(10-17-20(15)2)16(19-14)21-7-9-23-12(11-21)6-8-22-3/h10,12H,4-9,11H2,1-3H3
InChIKeyOTKPSISXDQGMKB-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.56
Rot. Bonds6

About 2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (PubChem CID 56885853) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
PubChem CID56885853
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESCCCc1nc(N2CCOC(CCOC)C2)c2cnn(C)c2n1
InChIInChI=1S/C16H25N5O2/c1-4-5-14-18-15-13(10-17-20(15)2)16(19-14)21-7-9-23-12(11-21)6-8-22-3/h10,12H,4-9,11H2,1-3H3
InChIKeyOTKPSISXDQGMKB-UHFFFAOYSA-N
XLogP1.56
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (CID 56885853) is 2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is CCCc1nc(N2CCOC(CCOC)C2)c2cnn(C)c2n1.
What is the InChIKey of 2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is OTKPSISXDQGMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-4-5-14-18-15-13(10-17-20(15)2)16(19-14)21-7-9-23-12(11-21)6-8-22-3/h10,12H,4-9,11H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 319.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 56885853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).