5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one

C11H17N3O3 — CID 136973992

IUPAC5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)C2CCCO2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7(8-4-3-5-17-8)14-10-9(16-2)11(15)13-6-12-10/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyCJTWGEAGPBMFGY-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.76
Rot. Bonds4

About 5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one

5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136973992) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136973992
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)C2CCCO2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7(8-4-3-5-17-8)14-10-9(16-2)11(15)13-6-12-10/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyCJTWGEAGPBMFGY-UHFFFAOYSA-N
XLogP0.76
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136973992) is 5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one is COc1c(NC(C)C2CCCO2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is CJTWGEAGPBMFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(8-4-3-5-17-8)14-10-9(16-2)11(15)13-6-12-10/h6-8H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136973992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).