3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one

C12H19N3O2 — CID 63795972

IUPAC3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
SMILESCC(NCCn1cnccc1=O)C1CCCO1
InChIInChI=1S/C12H19N3O2/c1-10(11-3-2-8-17-11)14-6-7-15-9-13-5-4-12(15)16/h4-5,9-11,14H,2-3,6-8H2,1H3
InChIKeyLRAFOYILJOZXQT-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.40
Rot. Bonds5

About 3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one

3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one (PubChem CID 63795972) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
PubChem CID63795972
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
SMILESCC(NCCn1cnccc1=O)C1CCCO1
InChIInChI=1S/C12H19N3O2/c1-10(11-3-2-8-17-11)14-6-7-15-9-13-5-4-12(15)16/h4-5,9-11,14H,2-3,6-8H2,1H3
InChIKeyLRAFOYILJOZXQT-UHFFFAOYSA-N
XLogP0.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one (CID 63795972) is 3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one is CC(NCCn1cnccc1=O)C1CCCO1.
What is the InChIKey of 3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The InChIKey is LRAFOYILJOZXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10(11-3-2-8-17-11)14-6-7-15-9-13-5-4-12(15)16/h4-5,9-11,14H,2-3,6-8H2,1H3.
What are the key properties of 3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one is sourced from PubChem (CID 63795972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).