(2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine

C16H17N5O — CID 36722989

IUPAC(2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
SMILESCn1ncc2c(N3CCO[C@H](c4ccccc4)C3)ncnc21
InChIInChI=1S/C16H17N5O/c1-20-15-13(9-19-20)16(18-11-17-15)21-7-8-22-14(10-21)12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3/t14-/m0/s1
InChIKeyUWKSUYKMPIZRAP-AWEZNQCLSA-N
MW295.35 g/mol
LogP1.94
Rot. Bonds2

About (2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine

(2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine (PubChem CID 36722989) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is (2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine.

Molecular Properties

Compound Name(2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
PubChem CID36722989
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name(2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
SMILESCn1ncc2c(N3CCO[C@H](c4ccccc4)C3)ncnc21
InChIInChI=1S/C16H17N5O/c1-20-15-13(9-19-20)16(18-11-17-15)21-7-8-22-14(10-21)12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3/t14-/m0/s1
InChIKeyUWKSUYKMPIZRAP-AWEZNQCLSA-N
XLogP1.94
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine?
The IUPAC name of (2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine (CID 36722989) is (2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine.
What is the SMILES notation for (2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine?
The canonical SMILES for (2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine is Cn1ncc2c(N3CCO[C@H](c4ccccc4)C3)ncnc21.
What is the InChIKey of (2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine?
The InChIKey is UWKSUYKMPIZRAP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N5O/c1-20-15-13(9-19-20)16(18-11-17-15)21-7-8-22-14(10-21)12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3/t14-/m0/s1.
What are the key properties of (2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine?
(2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine has a molecular weight of 295.35 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine is sourced from PubChem (CID 36722989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).