5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one

C11H17IN4O2 — CID 136956036

IUPAC5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCN2CCOCC2)c1I
InChIInChI=1S/C11H17IN4O2/c12-9-10(14-8-15-11(9)17)13-2-1-3-16-4-6-18-7-5-16/h8H,1-7H2,(H2,13,14,15,17)
InChIKeyGFVKPBYRMHLMFO-UHFFFAOYSA-N
MW364.19 g/mol
LogP0.51
Rot. Bonds5

About 5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one

5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136956036) has the molecular formula C11H17IN4O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is 5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
PubChem CID136956036
Molecular FormulaC11H17IN4O2
Molecular Weight364.19 g/mol
Exact Mass364.04
IUPAC Name5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCN2CCOCC2)c1I
InChIInChI=1S/C11H17IN4O2/c12-9-10(14-8-15-11(9)17)13-2-1-3-16-4-6-18-7-5-16/h8H,1-7H2,(H2,13,14,15,17)
InChIKeyGFVKPBYRMHLMFO-UHFFFAOYSA-N
XLogP0.51
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one (CID 136956036) is 5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCN2CCOCC2)c1I.
What is the InChIKey of 5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is GFVKPBYRMHLMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O2/c12-9-10(14-8-15-11(9)17)13-2-1-3-16-4-6-18-7-5-16/h8H,1-7H2,(H2,13,14,15,17).
What are the key properties of 5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 364.19 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).