(2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine

C17H27N5O — CID 95738436

IUPAC(2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine
SMILESCCn1nc(C)c2nc(C(C)C)nc(N3C[C@@H](C)O[C@@H](C)C3)c21
InChIInChI=1S/C17H27N5O/c1-7-22-15-14(13(6)20-22)18-16(10(2)3)19-17(15)21-8-11(4)23-12(5)9-21/h10-12H,7-9H2,1-6H3/t11-,12+
InChIKeyMINUVQTUBQVUST-TXEJJXNPSA-N
MW317.44 g/mol
LogP2.89
Rot. Bonds3

About (2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine

(2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine (PubChem CID 95738436) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine
PubChem CID95738436
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine
SMILESCCn1nc(C)c2nc(C(C)C)nc(N3C[C@@H](C)O[C@@H](C)C3)c21
InChIInChI=1S/C17H27N5O/c1-7-22-15-14(13(6)20-22)18-16(10(2)3)19-17(15)21-8-11(4)23-12(5)9-21/h10-12H,7-9H2,1-6H3/t11-,12+
InChIKeyMINUVQTUBQVUST-TXEJJXNPSA-N
XLogP2.89
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine (CID 95738436) is (2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine is CCn1nc(C)c2nc(C(C)C)nc(N3C[C@@H](C)O[C@@H](C)C3)c21.
What is the InChIKey of (2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine?
The InChIKey is MINUVQTUBQVUST-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H27N5O/c1-7-22-15-14(13(6)20-22)18-16(10(2)3)19-17(15)21-8-11(4)23-12(5)9-21/h10-12H,7-9H2,1-6H3/t11-,12+.
What are the key properties of (2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine?
(2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine has a molecular weight of 317.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 95738436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).