2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

C18H23N5O2 — CID 136673603

IUPAC2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESO=c1cc([C@@H]2CCN(Cc3ccccn3)C2)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C18H23N5O2/c24-17-11-16(20-18(21-17)23-7-9-25-10-8-23)14-4-6-22(12-14)13-15-3-1-2-5-19-15/h1-3,5,11,14H,4,6-10,12-13H2,(H,20,21,24)/t14-/m1/s1
InChIKeyMAZGWJDNJYFNPY-CQSZACIVSA-N
MW341.42 g/mol
LogP0.99
Rot. Bonds4

About 2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136673603) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136673603
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESO=c1cc([C@@H]2CCN(Cc3ccccn3)C2)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C18H23N5O2/c24-17-11-16(20-18(21-17)23-7-9-25-10-8-23)14-4-6-22(12-14)13-15-3-1-2-5-19-15/h1-3,5,11,14H,4,6-10,12-13H2,(H,20,21,24)/t14-/m1/s1
InChIKeyMAZGWJDNJYFNPY-CQSZACIVSA-N
XLogP0.99
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-4-[(3R)-1-[(3S)-3-phenylbutyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137061511
2-pyridin-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136765795
2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136764145
4-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136681420
2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821055
4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136765877
4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136821065
2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821061
2-morpholin-4-yl-4-[1-(oxolane-2-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136765876
4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136850408
2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821068
2-methyl-4-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136816521

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 136673603) is 2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is O=c1cc([C@@H]2CCN(Cc3ccccn3)C2)nc(N2CCOCC2)[nH]1.
What is the InChIKey of 2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is MAZGWJDNJYFNPY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17-11-16(20-18(21-17)23-7-9-25-10-8-23)14-4-6-22(12-14)13-15-3-1-2-5-19-15/h1-3,5,11,14H,4,6-10,12-13H2,(H,20,21,24)/t14-/m1/s1.
What are the key properties of 2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 341.42 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136673603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).