4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one

C12H18N4O2 — CID 133490439

IUPAC4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one
SMILESCCOc1cc(N2CCNC(=O)C2CC)ncn1
InChIInChI=1S/C12H18N4O2/c1-3-9-12(17)13-5-6-16(9)10-7-11(18-4-2)15-8-14-10/h7-9H,3-6H2,1-2H3,(H,13,17)
InChIKeyCHMXQKDFDMRZSM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.59
Rot. Bonds4

About 4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one

4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one (PubChem CID 133490439) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one
PubChem CID133490439
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one
SMILESCCOc1cc(N2CCNC(=O)C2CC)ncn1
InChIInChI=1S/C12H18N4O2/c1-3-9-12(17)13-5-6-16(9)10-7-11(18-4-2)15-8-14-10/h7-9H,3-6H2,1-2H3,(H,13,17)
InChIKeyCHMXQKDFDMRZSM-UHFFFAOYSA-N
XLogP0.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one (CID 133490439) is 4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one is CCOc1cc(N2CCNC(=O)C2CC)ncn1.
What is the InChIKey of 4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one?
The InChIKey is CHMXQKDFDMRZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-9-12(17)13-5-6-16(9)10-7-11(18-4-2)15-8-14-10/h7-9H,3-6H2,1-2H3,(H,13,17).
What are the key properties of 4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one?
4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxypyrimidin-4-yl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 133490439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).