4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine

C13H18ClN5O — CID 63220281

IUPAC4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2nc(Cl)c3cnn(C)c3n2)CC(C)O1
InChIInChI=1S/C13H18ClN5O/c1-8-5-19(6-9(2)20-8)7-11-16-12(14)10-4-15-18(3)13(10)17-11/h4,8-9H,5-7H2,1-3H3
InChIKeyCBZWLWLZFFGXEZ-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.63
Rot. Bonds2

About 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine

4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine (PubChem CID 63220281) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine
PubChem CID63220281
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2nc(Cl)c3cnn(C)c3n2)CC(C)O1
InChIInChI=1S/C13H18ClN5O/c1-8-5-19(6-9(2)20-8)7-11-16-12(14)10-4-15-18(3)13(10)17-11/h4,8-9H,5-7H2,1-3H3
InChIKeyCBZWLWLZFFGXEZ-UHFFFAOYSA-N
XLogP1.63
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine (CID 63220281) is 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine is CC1CN(Cc2nc(Cl)c3cnn(C)c3n2)CC(C)O1.
What is the InChIKey of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine?
The InChIKey is CBZWLWLZFFGXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-8-5-19(6-9(2)20-8)7-11-16-12(14)10-4-15-18(3)13(10)17-11/h4,8-9H,5-7H2,1-3H3.
What are the key properties of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine?
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine has a molecular weight of 295.77 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 63220281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).