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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Related Compounds

2-[(1S,2R,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156533576
2-[(2R,3R)-3-ethynyl-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 174077038
2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2S)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one;2-[(2R)-2-benzylpyrrolidin-1-yl]-4-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 158084949
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156749658
6-[(1S,2S,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyridin-2-one
CID 156533586
2-[(2R)-2-[(2,5-dimethoxyphenyl)methyl]azepan-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 168818422
6-[(2R,3R,5S)-5-benzyl-2,3-dimethylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 174076900
2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 137130492
6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137195965
6-(2-benzyl-4,4-difluoropyrrolidin-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
CID 156749681
4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride
CID 163329753

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).