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

C17H24N4O4 — CID 136821068

IUPAC2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESO=C([C@@H]1CCOC1)N1CC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1
InChIInChI=1S/C17H24N4O4/c22-15-9-14(18-17(19-15)20-4-7-24-8-5-20)12-1-3-21(10-12)16(23)13-2-6-25-11-13/h9,12-13H,1-8,10-11H2,(H,18,19,22)/t12-,13-/m1/s1
InChIKeyXSGQNXNWNBGYLY-CHWSQXEVSA-N
MW348.40 g/mol
LogP-0.04
Rot. Bonds3

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

2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136821068) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136821068
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESO=C([C@@H]1CCOC1)N1CC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1
InChIInChI=1S/C17H24N4O4/c22-15-9-14(18-17(19-15)20-4-7-24-8-5-20)12-1-3-21(10-12)16(23)13-2-6-25-11-13/h9,12-13H,1-8,10-11H2,(H,18,19,22)/t12-,13-/m1/s1
InChIKeyXSGQNXNWNBGYLY-CHWSQXEVSA-N
XLogP-0.04
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

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
2-morpholin-4-yl-4-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821055
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-[1-(2-methylpropanoyl)piperidin-4-yl]-4-[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136860274
2-[(3R)-1-[(3S)-oxolane-3-carbonyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136820939
[4-(5-methylsulfonyl-2-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 46962303
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136673603
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-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 136821068) is 2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one is O=C([C@@H]1CCOC1)N1CC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1.
What is the InChIKey of 2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is XSGQNXNWNBGYLY-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H24N4O4/c22-15-9-14(18-17(19-15)20-4-7-24-8-5-20)12-1-3-21(10-12)16(23)13-2-6-25-11-13/h9,12-13H,1-8,10-11H2,(H,18,19,22)/t12-,13-/m1/s1.
What are the key properties of 2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-morpholin-4-yl-4-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 348.40 g/mol, XLogP of -0.04, 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-[(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136821068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).