(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

C16H24N6O — CID 124679286

IUPAC(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESC[C@H]1CN(c2ncnc3c2cnn3C2CCNCC2)C[C@H](C)O1
InChIInChI=1S/C16H24N6O/c1-11-8-21(9-12(2)23-11)15-14-7-20-22(16(14)19-10-18-15)13-3-5-17-6-4-13/h7,10-13,17H,3-6,8-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyLLSNFRSPGSLTOB-RYUDHWBXSA-N
MW316.41 g/mol
LogP1.36
Rot. Bonds2

About (2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (PubChem CID 124679286) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
PubChem CID124679286
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESC[C@H]1CN(c2ncnc3c2cnn3C2CCNCC2)C[C@H](C)O1
InChIInChI=1S/C16H24N6O/c1-11-8-21(9-12(2)23-11)15-14-7-20-22(16(14)19-10-18-15)13-3-5-17-6-4-13/h7,10-13,17H,3-6,8-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyLLSNFRSPGSLTOB-RYUDHWBXSA-N
XLogP1.36
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (CID 124679286) is (2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is C[C@H]1CN(c2ncnc3c2cnn3C2CCNCC2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is LLSNFRSPGSLTOB-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-8-21(9-12(2)23-11)15-14-7-20-22(16(14)19-10-18-15)13-3-5-17-6-4-13/h7,10-13,17H,3-6,8-9H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
(2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 316.41 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-(1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 124679286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).