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

C17H24N4O4 — CID 136821061

IUPAC2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESO=C([C@@H]1CCCO1)N1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1
InChIInChI=1S/C17H24N4O4/c22-15-10-13(18-17(19-15)20-5-8-24-9-6-20)12-3-4-21(11-12)16(23)14-2-1-7-25-14/h10,12,14H,1-9,11H2,(H,18,19,22)/t12-,14-/m0/s1
InChIKeyBWZYEEDEWVHCFJ-JSGCOSHPSA-N
MW348.40 g/mol
LogP0.10
Rot. Bonds3

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

2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136821061) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136821061
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESO=C([C@@H]1CCCO1)N1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1
InChIInChI=1S/C17H24N4O4/c22-15-10-13(18-17(19-15)20-5-8-24-9-6-20)12-3-4-21(11-12)16(23)14-2-1-7-25-14/h10,12,14H,1-9,11H2,(H,18,19,22)/t12-,14-/m0/s1
InChIKeyBWZYEEDEWVHCFJ-JSGCOSHPSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136874984
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
4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136850408
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 136821061) is 2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one is O=C([C@@H]1CCCO1)N1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1.
What is the InChIKey of 2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is BWZYEEDEWVHCFJ-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H24N4O4/c22-15-10-13(18-17(19-15)20-5-8-24-9-6-20)12-3-4-21(11-12)16(23)14-2-1-7-25-14/h10,12,14H,1-9,11H2,(H,18,19,22)/t12-,14-/m0/s1.
What are the key properties of 2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-morpholin-4-yl-4-[(3S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 348.40 g/mol, XLogP of 0.10, 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-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136821061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).