2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one

C21H26N4O2 — CID 156533655

IUPAC2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCC1C2CN(c3nc(N4CCOCC4)cc(=O)[nH]3)[C@H](Cc3ccccc3)C12
InChIInChI=1S/C21H26N4O2/c1-14-16-13-25(17(20(14)16)11-15-5-3-2-4-6-15)21-22-18(12-19(26)23-21)24-7-9-27-10-8-24/h2-6,12,14,16-17,20H,7-11,13H2,1H3,(H,22,23,26)/t14?,16?,17-,20?/m1/s1
InChIKeyOFNBASUNLPXJGT-OXLQCPJGSA-N
MW366.47 g/mol
LogP1.92
Rot. Bonds4

About 2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one

2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 156533655) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID156533655
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCC1C2CN(c3nc(N4CCOCC4)cc(=O)[nH]3)[C@H](Cc3ccccc3)C12
InChIInChI=1S/C21H26N4O2/c1-14-16-13-25(17(20(14)16)11-15-5-3-2-4-6-15)21-22-18(12-19(26)23-21)24-7-9-27-10-8-24/h2-6,12,14,16-17,20H,7-11,13H2,1H3,(H,22,23,26)/t14?,16?,17-,20?/m1/s1
InChIKeyOFNBASUNLPXJGT-OXLQCPJGSA-N
XLogP1.92
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one (CID 156533655) is 2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one is CC1C2CN(c3nc(N4CCOCC4)cc(=O)[nH]3)[C@H](Cc3ccccc3)C12.
What is the InChIKey of 2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is OFNBASUNLPXJGT-OXLQCPJGSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-16-13-25(17(20(14)16)11-15-5-3-2-4-6-15)21-22-18(12-19(26)23-21)24-7-9-27-10-8-24/h2-6,12,14,16-17,20H,7-11,13H2,1H3,(H,22,23,26)/t14?,16?,17-,20?/m1/s1.
What are the key properties of 2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one?
2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 366.47 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 156533655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).