1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone

C14H24N4O — CID 54348248

IUPAC1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone
SMILESCCN(CC)c1ncc(C(C)=O)c(N(CC)CC)n1
InChIInChI=1S/C14H24N4O/c1-6-17(7-2)13-12(11(5)19)10-15-14(16-13)18(8-3)9-4/h10H,6-9H2,1-5H3
InChIKeyISJGARDRYDMYHO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.37
Rot. Bonds7

About 1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone

1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone (PubChem CID 54348248) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone
PubChem CID54348248
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone
SMILESCCN(CC)c1ncc(C(C)=O)c(N(CC)CC)n1
InChIInChI=1S/C14H24N4O/c1-6-17(7-2)13-12(11(5)19)10-15-14(16-13)18(8-3)9-4/h10H,6-9H2,1-5H3
InChIKeyISJGARDRYDMYHO-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone (CID 54348248) is 1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone is CCN(CC)c1ncc(C(C)=O)c(N(CC)CC)n1.
What is the InChIKey of 1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone?
The InChIKey is ISJGARDRYDMYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-6-17(7-2)13-12(11(5)19)10-15-14(16-13)18(8-3)9-4/h10H,6-9H2,1-5H3.
What are the key properties of 1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone?
1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 54348248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).