1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one

C15H22N4O5 — CID 118494877

IUPAC1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one
SMILESC/C(=N\c1ccn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1)N1CCOCC1
InChIInChI=1S/C15H22N4O5/c1-10(18-4-6-23-7-5-18)16-13-2-3-19(15(22)17-13)14-8-11(21)12(9-20)24-14/h2-3,11-12,14,20-21H,4-9H2,1H3/b16-10+/t11-,12-,14-/m1/s1
InChIKeyQJCGBLIFSWUPQW-KFEUSTOFSA-N
MW338.36 g/mol
LogP-0.73
Rot. Bonds3

About 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one

1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one (PubChem CID 118494877) has the molecular formula C15H22N4O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one
PubChem CID118494877
Molecular FormulaC15H22N4O5
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Name1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one
SMILESC/C(=N\c1ccn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1)N1CCOCC1
InChIInChI=1S/C15H22N4O5/c1-10(18-4-6-23-7-5-18)16-13-2-3-19(15(22)17-13)14-8-11(21)12(9-20)24-14/h2-3,11-12,14,20-21H,4-9H2,1H3/b16-10+/t11-,12-,14-/m1/s1
InChIKeyQJCGBLIFSWUPQW-KFEUSTOFSA-N
XLogP-0.73
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(1-methylpyrrolidin-2-ylidene)amino]pyrimidin-2-one
CID 118482933
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(1-morpholin-4-ylethylideneamino)-1H-purin-6-one
CID 136994849
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(E)-morpholin-4-ylmethylideneamino]-1,3,5-triazin-2-one
CID 170542742
[(2R,5R)-5-[4-(diaminomethylideneamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 163654194
bis(4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one);aminophosphonous acid
CID 67722421
4-[bis(2,2-dimethylaziridin-1-yl)phosphorylamino]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 14775402
[[(3R,5R)-5-[4-(diaminomethylideneamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 174005573
N-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 18736624
N-[1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexanamide
CID 155602775
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one?
The IUPAC name of 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one (CID 118494877) is 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one.
What is the SMILES notation for 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one?
The canonical SMILES for 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one is C/C(=N\c1ccn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1)N1CCOCC1.
What is the InChIKey of 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one?
The InChIKey is QJCGBLIFSWUPQW-KFEUSTOFSA-N. The full InChI is InChI=1S/C15H22N4O5/c1-10(18-4-6-23-7-5-18)16-13-2-3-19(15(22)17-13)14-8-11(21)12(9-20)24-14/h2-3,11-12,14,20-21H,4-9H2,1H3/b16-10+/t11-,12-,14-/m1/s1.
What are the key properties of 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one?
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one has a molecular weight of 338.36 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1-morpholin-4-ylethylideneamino)pyrimidin-2-one is sourced from PubChem (CID 118494877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).