2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

C18H21N5O3 — CID 136821055

IUPAC2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESO=C(c1cccnc1)N1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1
InChIInChI=1S/C18H21N5O3/c24-16-10-15(20-18(21-16)22-6-8-26-9-7-22)14-3-5-23(12-14)17(25)13-2-1-4-19-11-13/h1-2,4,10-11,14H,3,5-9,12H2,(H,20,21,24)/t14-/m0/s1
InChIKeyZTWMKTCBFVIDSC-AWEZNQCLSA-N
MW355.40 g/mol
LogP0.63
Rot. Bonds3

About 2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136821055) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136821055
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESO=C(c1cccnc1)N1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1
InChIInChI=1S/C18H21N5O3/c24-16-10-15(20-18(21-16)22-6-8-26-9-7-22)14-3-5-23(12-14)17(25)13-2-1-4-19-11-13/h1-2,4,10-11,14H,3,5-9,12H2,(H,20,21,24)/t14-/m0/s1
InChIKeyZTWMKTCBFVIDSC-AWEZNQCLSA-N
XLogP0.63
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

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-[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-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821068
4-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136821067
2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136673603
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681468
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
2-morpholin-4-yl-4-[(3R)-1-[(3S)-3-phenylbutyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137061511

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 136821055) is 2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is O=C(c1cccnc1)N1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1.
What is the InChIKey of 2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is ZTWMKTCBFVIDSC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-16-10-15(20-18(21-16)22-6-8-26-9-7-22)14-3-5-23(12-14)17(25)13-2-1-4-19-11-13/h1-2,4,10-11,14H,3,5-9,12H2,(H,20,21,24)/t14-/m0/s1.
What are the key properties of 2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 355.40 g/mol, XLogP of 0.63, 3 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-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136821055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).