5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one

C14H21N5O2 — CID 39893958

IUPAC5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)n(C)c(N3C[C@H](C)O[C@@H](C)C3)nc12
InChIInChI=1S/C14H21N5O2/c1-8-6-19(7-9(2)21-8)14-15-11-10(3)16-18(5)12(11)13(20)17(14)4/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyFQGQQCJWTRJMTI-IUCAKERBSA-N
MW291.36 g/mol
LogP0.59
Rot. Bonds1

About 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one

5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 39893958) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID39893958
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)n(C)c(N3C[C@H](C)O[C@@H](C)C3)nc12
InChIInChI=1S/C14H21N5O2/c1-8-6-19(7-9(2)21-8)14-15-11-10(3)16-18(5)12(11)13(20)17(14)4/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1
InChIKeyFQGQQCJWTRJMTI-IUCAKERBSA-N
XLogP0.59
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one (CID 39893958) is 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one is Cc1nn(C)c2c(=O)n(C)c(N3C[C@H](C)O[C@@H](C)C3)nc12.
What is the InChIKey of 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is FQGQQCJWTRJMTI-IUCAKERBSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-8-6-19(7-9(2)21-8)14-15-11-10(3)16-18(5)12(11)13(20)17(14)4/h8-9H,6-7H2,1-5H3/t8-,9-/m0/s1.
What are the key properties of 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one?
5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 291.36 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,6-trimethylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 39893958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).