2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine

C10H15N3O — CID 105487369

IUPAC2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine
SMILESNCCc1ncc(C2CCOC2)cn1
InChIInChI=1S/C10H15N3O/c11-3-1-10-12-5-9(6-13-10)8-2-4-14-7-8/h5-6,8H,1-4,7,11H2
InChIKeyOVOBRGFAVITERR-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.48
Rot. Bonds3

About 2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine

2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine (PubChem CID 105487369) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine
PubChem CID105487369
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine
SMILESNCCc1ncc(C2CCOC2)cn1
InChIInChI=1S/C10H15N3O/c11-3-1-10-12-5-9(6-13-10)8-2-4-14-7-8/h5-6,8H,1-4,7,11H2
InChIKeyOVOBRGFAVITERR-UHFFFAOYSA-N
XLogP0.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine (CID 105487369) is 2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine is NCCc1ncc(C2CCOC2)cn1.
What is the InChIKey of 2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine?
The InChIKey is OVOBRGFAVITERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-3-1-10-12-5-9(6-13-10)8-2-4-14-7-8/h5-6,8H,1-4,7,11H2.
What are the key properties of 2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine?
2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine has a molecular weight of 193.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxolan-3-yl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 105487369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).