3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one

C14H17N3O2 — CID 55235489

IUPAC3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one
SMILESNCCc1ccc(OCCn2cnccc2=O)cc1
InChIInChI=1S/C14H17N3O2/c15-7-5-12-1-3-13(4-2-12)19-10-9-17-11-16-8-6-14(17)18/h1-4,6,8,11H,5,7,9-10,15H2
InChIKeyHUJAZEVYJJICTC-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.82
Rot. Bonds6

About 3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one

3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one (PubChem CID 55235489) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one
PubChem CID55235489
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one
SMILESNCCc1ccc(OCCn2cnccc2=O)cc1
InChIInChI=1S/C14H17N3O2/c15-7-5-12-1-3-13(4-2-12)19-10-9-17-11-16-8-6-14(17)18/h1-4,6,8,11H,5,7,9-10,15H2
InChIKeyHUJAZEVYJJICTC-UHFFFAOYSA-N
XLogP0.82
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one
CID 63769909
3-[3-(4-aminophenoxy)propyl]pyrimidin-4-one
CID 63768989
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one
CID 103482356
4-[3-(6-oxopyrimidin-1-yl)propoxy]benzonitrile
CID 55237428
3-[2-(6-oxopyrimidin-1-yl)ethoxy]benzonitrile
CID 63768674
3-(2-phenylethyl)pyrimidin-4-one
CID 68623942
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one
CID 115696902
4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one
CID 64682601
5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one
CID 115492319
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine
CID 43530849

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one (CID 55235489) is 3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one is NCCc1ccc(OCCn2cnccc2=O)cc1.
What is the InChIKey of 3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one?
The InChIKey is HUJAZEVYJJICTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-7-5-12-1-3-13(4-2-12)19-10-9-17-11-16-8-6-14(17)18/h1-4,6,8,11H,5,7,9-10,15H2.
What are the key properties of 3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one?
3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one is sourced from PubChem (CID 55235489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).