2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine

C16H28N4O — CID 115973469

IUPAC2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine
SMILESCCC1CN(c2nc(C)cc(OC(C)C)n2)C(CC)CN1
InChIInChI=1S/C16H28N4O/c1-6-13-10-20(14(7-2)9-17-13)16-18-12(5)8-15(19-16)21-11(3)4/h8,11,13-14,17H,6-7,9-10H2,1-5H3
InChIKeyJLHMDVQSUHSGQC-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.54
Rot. Bonds5

About 2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine

2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine (PubChem CID 115973469) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine
PubChem CID115973469
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine
SMILESCCC1CN(c2nc(C)cc(OC(C)C)n2)C(CC)CN1
InChIInChI=1S/C16H28N4O/c1-6-13-10-20(14(7-2)9-17-13)16-18-12(5)8-15(19-16)21-11(3)4/h8,11,13-14,17H,6-7,9-10H2,1-5H3
InChIKeyJLHMDVQSUHSGQC-UHFFFAOYSA-N
XLogP2.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine?
The IUPAC name of 2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine (CID 115973469) is 2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine?
The canonical SMILES for 2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine is CCC1CN(c2nc(C)cc(OC(C)C)n2)C(CC)CN1.
What is the InChIKey of 2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine?
The InChIKey is JLHMDVQSUHSGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-13-10-20(14(7-2)9-17-13)16-18-12(5)8-15(19-16)21-11(3)4/h8,11,13-14,17H,6-7,9-10H2,1-5H3.
What are the key properties of 2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine?
2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine has a molecular weight of 292.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethylpiperazin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 115973469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).