(2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine

C17H27N5O2 — CID 95713086

IUPAC(2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
SMILESCOCC[C@H]1CN(c2nc(C(C)(C)C)nc3c2cnn3C)CCO1
InChIInChI=1S/C17H27N5O2/c1-17(2,3)16-19-14-13(10-18-21(14)4)15(20-16)22-7-9-24-12(11-22)6-8-23-5/h10,12H,6-9,11H2,1-5H3/t12-/m0/s1
InChIKeyVBMMXLUPLRRALN-LBPRGKRZSA-N
MW333.44 g/mol
LogP1.90
Rot. Bonds4

About (2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine

(2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine (PubChem CID 95713086) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
PubChem CID95713086
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
SMILESCOCC[C@H]1CN(c2nc(C(C)(C)C)nc3c2cnn3C)CCO1
InChIInChI=1S/C17H27N5O2/c1-17(2,3)16-19-14-13(10-18-21(14)4)15(20-16)22-7-9-24-12(11-22)6-8-23-5/h10,12H,6-9,11H2,1-5H3/t12-/m0/s1
InChIKeyVBMMXLUPLRRALN-LBPRGKRZSA-N
XLogP1.90
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine?
The IUPAC name of (2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine (CID 95713086) is (2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine.
What is the SMILES notation for (2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine?
The canonical SMILES for (2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine is COCC[C@H]1CN(c2nc(C(C)(C)C)nc3c2cnn3C)CCO1.
What is the InChIKey of (2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine?
The InChIKey is VBMMXLUPLRRALN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-17(2,3)16-19-14-13(10-18-21(14)4)15(20-16)22-7-9-24-12(11-22)6-8-23-5/h10,12H,6-9,11H2,1-5H3/t12-/m0/s1.
What are the key properties of (2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine?
(2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine has a molecular weight of 333.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine is sourced from PubChem (CID 95713086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).