4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

C27H29N5O2 — CID 68723538

IUPAC4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESO=C1c2nc(N3CCOCC3)nc(NC(c3ccccc3)c3ccccc3)c2CN1C1CCC1
InChIInChI=1S/C27H29N5O2/c33-26-24-22(18-32(26)21-12-7-13-21)25(30-27(29-24)31-14-16-34-17-15-31)28-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21,23H,7,12-18H2,(H,28,29,30)
InChIKeyCPBPKNMDUPQGQV-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.02
Rot. Bonds6

About 4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 68723538) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID68723538
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESO=C1c2nc(N3CCOCC3)nc(NC(c3ccccc3)c3ccccc3)c2CN1C1CCC1
InChIInChI=1S/C27H29N5O2/c33-26-24-22(18-32(26)21-12-7-13-21)25(30-27(29-24)31-14-16-34-17-15-31)28-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21,23H,7,12-18H2,(H,28,29,30)
InChIKeyCPBPKNMDUPQGQV-UHFFFAOYSA-N
XLogP4.02
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one (CID 68723538) is 4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one is O=C1c2nc(N3CCOCC3)nc(NC(c3ccccc3)c3ccccc3)c2CN1C1CCC1.
What is the InChIKey of 4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is CPBPKNMDUPQGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c33-26-24-22(18-32(26)21-12-7-13-21)25(30-27(29-24)31-14-16-34-17-15-31)28-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21,23H,7,12-18H2,(H,28,29,30).
What are the key properties of 4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 455.56 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 68723538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).