1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H25N5O2 — CID 137264916

IUPAC1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1(c2ccccc2)CN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CCO1
InChIInChI=1S/C20H25N5O2/c1-19(2,3)25-16-15(12-21-25)17(26)23-18(22-16)24-10-11-27-20(4,13-24)14-8-6-5-7-9-14/h5-9,12H,10-11,13H2,1-4H3,(H,22,23,26)
InChIKeyJDFVRVFIMKLDKG-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.63
Rot. Bonds2

About 1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137264916) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137264916
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1(c2ccccc2)CN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CCO1
InChIInChI=1S/C20H25N5O2/c1-19(2,3)25-16-15(12-21-25)17(26)23-18(22-16)24-10-11-27-20(4,13-24)14-8-6-5-7-9-14/h5-9,12H,10-11,13H2,1-4H3,(H,22,23,26)
InChIKeyJDFVRVFIMKLDKG-UHFFFAOYSA-N
XLogP2.63
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137264916) is 1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1(c2ccccc2)CN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)CCO1.
What is the InChIKey of 1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JDFVRVFIMKLDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-19(2,3)25-16-15(12-21-25)17(26)23-18(22-16)24-10-11-27-20(4,13-24)14-8-6-5-7-9-14/h5-9,12H,10-11,13H2,1-4H3,(H,22,23,26).
What are the key properties of 1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 367.45 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(2-methyl-2-phenylmorpholin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137264916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).