1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone

C14H23N5O — CID 80933087

IUPAC1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCCNc1cc(N2CCN(C(C)=O)CC2)nc(CC)n1
InChIInChI=1S/C14H23N5O/c1-4-12-16-13(15-5-2)10-14(17-12)19-8-6-18(7-9-19)11(3)20/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyQITWVNMFCFICBM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.14
Rot. Bonds4

About 1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 80933087) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID80933087
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCCNc1cc(N2CCN(C(C)=O)CC2)nc(CC)n1
InChIInChI=1S/C14H23N5O/c1-4-12-16-13(15-5-2)10-14(17-12)19-8-6-18(7-9-19)11(3)20/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyQITWVNMFCFICBM-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-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-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 80933087) is 1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone is CCNc1cc(N2CCN(C(C)=O)CC2)nc(CC)n1.
What is the InChIKey of 1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is QITWVNMFCFICBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-4-12-16-13(15-5-2)10-14(17-12)19-8-6-18(7-9-19)11(3)20/h10H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 80933087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).