4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one

C11H17N3O3 — CID 71171636

IUPAC4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one
SMILESCO[C@H](C/C=C\[C@@H](C)O)n1ccc(N)nc1=O
InChIInChI=1S/C11H17N3O3/c1-8(15)4-3-5-10(17-2)14-7-6-9(12)13-11(14)16/h3-4,6-8,10,15H,5H2,1-2H3,(H2,12,13,16)/b4-3-/t8-,10-/m1/s1
InChIKeyGXDVAEXELVIIHA-CCIFHCDCSA-N
MW239.28 g/mol
LogP0.30
Rot. Bonds5

About 4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one

4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one (PubChem CID 71171636) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one
PubChem CID71171636
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one
SMILESCO[C@H](C/C=C\[C@@H](C)O)n1ccc(N)nc1=O
InChIInChI=1S/C11H17N3O3/c1-8(15)4-3-5-10(17-2)14-7-6-9(12)13-11(14)16/h3-4,6-8,10,15H,5H2,1-2H3,(H2,12,13,16)/b4-3-/t8-,10-/m1/s1
InChIKeyGXDVAEXELVIIHA-CCIFHCDCSA-N
XLogP0.30
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one (CID 71171636) is 4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one is CO[C@H](C/C=C\[C@@H](C)O)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one?
The InChIKey is GXDVAEXELVIIHA-CCIFHCDCSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(15)4-3-5-10(17-2)14-7-6-9(12)13-11(14)16/h3-4,6-8,10,15H,5H2,1-2H3,(H2,12,13,16)/b4-3-/t8-,10-/m1/s1.
What are the key properties of 4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one?
4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one has a molecular weight of 239.28 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(Z,1R,5R)-5-hydroxy-1-methoxyhex-3-enyl]pyrimidin-2-one is sourced from PubChem (CID 71171636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).