4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine

C9H10FN5O — CID 71004898

IUPAC4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESFc1nc(N2CCOCC2)c2cn[nH]c2n1
InChIInChI=1S/C9H10FN5O/c10-9-12-7-6(5-11-14-7)8(13-9)15-1-3-16-4-2-15/h5H,1-4H2,(H,11,12,13,14)
InChIKeyRBSHXCBBKKQMQV-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.33
Rot. Bonds1

About 4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine

4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine (PubChem CID 71004898) has the molecular formula C9H10FN5O and a molecular weight of 223.21 g/mol. Its IUPAC name is 4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
PubChem CID71004898
Molecular FormulaC9H10FN5O
Molecular Weight223.21 g/mol
Exact Mass223.09
IUPAC Name4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESFc1nc(N2CCOCC2)c2cn[nH]c2n1
InChIInChI=1S/C9H10FN5O/c10-9-12-7-6(5-11-14-7)8(13-9)15-1-3-16-4-2-15/h5H,1-4H2,(H,11,12,13,14)
InChIKeyRBSHXCBBKKQMQV-UHFFFAOYSA-N
XLogP0.33
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine (CID 71004898) is 4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine is Fc1nc(N2CCOCC2)c2cn[nH]c2n1.
What is the InChIKey of 4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is RBSHXCBBKKQMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O/c10-9-12-7-6(5-11-14-7)8(13-9)15-1-3-16-4-2-15/h5H,1-4H2,(H,11,12,13,14).
What are the key properties of 4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 223.21 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 71004898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).