3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione

C14H23N3O3 — CID 63810576

IUPAC3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCNC2CCOCC2)c1=O
InChIInChI=1S/C14H23N3O3/c1-2-7-16-8-3-13(18)17(14(16)19)9-6-15-12-4-10-20-11-5-12/h3,8,12,15H,2,4-7,9-11H2,1H3
InChIKeyAOAIXXCTOPEUFZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.19
Rot. Bonds6

About 3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione

3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63810576) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione
PubChem CID63810576
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCNC2CCOCC2)c1=O
InChIInChI=1S/C14H23N3O3/c1-2-7-16-8-3-13(18)17(14(16)19)9-6-15-12-4-10-20-11-5-12/h3,8,12,15H,2,4-7,9-11H2,1H3
InChIKeyAOAIXXCTOPEUFZ-UHFFFAOYSA-N
XLogP0.19
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione (CID 63810576) is 3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(CCNC2CCOCC2)c1=O.
What is the InChIKey of 3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is AOAIXXCTOPEUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-7-16-8-3-13(18)17(14(16)19)9-6-15-12-4-10-20-11-5-12/h3,8,12,15H,2,4-7,9-11H2,1H3.
What are the key properties of 3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione?
3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63810576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).