4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine

C13H22N4O — CID 66324931

IUPAC4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine
SMILESCCOc1ncnc(N2CCNCC2(C)C)c1C
InChIInChI=1S/C13H22N4O/c1-5-18-12-10(2)11(15-9-16-12)17-7-6-14-8-13(17,3)4/h9,14H,5-8H2,1-4H3
InChIKeyJEKPFNPUWRNXGN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.37
Rot. Bonds3

About 4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine

4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine (PubChem CID 66324931) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine.

Molecular Properties

Compound Name4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine
PubChem CID66324931
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine
SMILESCCOc1ncnc(N2CCNCC2(C)C)c1C
InChIInChI=1S/C13H22N4O/c1-5-18-12-10(2)11(15-9-16-12)17-7-6-14-8-13(17,3)4/h9,14H,5-8H2,1-4H3
InChIKeyJEKPFNPUWRNXGN-UHFFFAOYSA-N
XLogP1.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine?
The IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine (CID 66324931) is 4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine.
What is the SMILES notation for 4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine?
The canonical SMILES for 4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine is CCOc1ncnc(N2CCNCC2(C)C)c1C.
What is the InChIKey of 4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine?
The InChIKey is JEKPFNPUWRNXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-18-12-10(2)11(15-9-16-12)17-7-6-14-8-13(17,3)4/h9,14H,5-8H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine?
4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine has a molecular weight of 250.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine is sourced from PubChem (CID 66324931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).