1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one

C45H68N12O16 — CID 158992423

About 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one

1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one (PubChem CID 158992423) has the molecular formula C45H68N12O16 and a molecular weight of 1033.11 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one.

Molecular Properties

• Compound Name: 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one
• PubChem CID: 158992423
• Molecular Formula: C45H68N12O16
• Molecular Weight: 1033.11 g/mol
• Exact Mass: 1032.49
• IUPAC Name: 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one
• SMILES: CC(C)N(/C=N/c1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)n1)C(C)C.O=c1nc(/N=C/N2CCCCC2)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1O.O=c1nc(/N=C/N2CCOCC2)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1O
• InChI: InChI=1S/C16H26N4O5.C15H22N4O5.C14H20N4O6/c1-9(2)20(10(3)4)8-17-12-5-6-19(16(24)18-12)15-14(23)13(22)11(7-21)25-15;20-8-10-12(21)13(22)14(24-10)19-7-4-11(17-15(19)23)16-9-18-5-2-1-3-6-18;19-7-9-11(20)12(21)13(24-9)18-2-1-10(16-14(18)22)15-8-17-3-5-23-6-4-17/h5-6,8-11,13-15,21-23H,7H2,1-4H3;4,7,9-10,12-14,20-22H,1-3,5-6,8H2;1-2,8-9,11-13,19-21H,3-7H2/b17-8+;16-9+;15-8+/t11-,13+,14?,15-;10-,12+,13?,14-;9-,11+,12?,13-/m111/s1
• InChIKey: JQICXWUXXIRYPJ-BTBKLILZSA-N
• XLogP: -3.52
• TPSA: 370.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1033.11
LogP ≤ 5	-3.52
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one?

The IUPAC name of 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one (CID 158992423) is 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one.

What is the SMILES notation for 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one?

The canonical SMILES for 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one is CC(C)N(/C=N/c1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)n1)C(C)C.O=c1nc(/N=C/N2CCCCC2)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1O.O=c1nc(/N=C/N2CCOCC2)ccn1[C@@H]1O[C@H](CO)[C@H](O)C1O.

What is the InChIKey of 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one?

The InChIKey is JQICXWUXXIRYPJ-BTBKLILZSA-N. The full InChI is InChI=1S/C16H26N4O5.C15H22N4O5.C14H20N4O6/c1-9(2)20(10(3)4)8-17-12-5-6-19(16(24)18-12)15-14(23)13(22)11(7-21)25-15;20-8-10-12(21)13(22)14(24-10)19-7-4-11(17-15(19)23)16-9-18-5-2-1-3-6-18;19-7-9-11(20)12(21)13(24-9)18-2-1-10(16-14(18)22)15-8-17-3-5-23-6-4-17/h5-6,8-11,13-15,21-23H,7H2,1-4H3;4,7,9-10,12-14,20-22H,1-3,5-6,8H2;1-2,8-9,11-13,19-21H,3-7H2/b17-8+;16-9+;15-8+/t11-,13+,14?,15-;10-,12+,13?,14-;9-,11+,12?,13-/m111/s1.

What are the key properties of 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one?

1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one has a molecular weight of 1033.11 g/mol, XLogP of -3.52, 14 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one;N'-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide;1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one is sourced from PubChem (CID 158992423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).