4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine

C16H28N4 — CID 63343044

IUPAC4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine
SMILESCCc1cc(C(C)C)nc(C(C)(C)N2CCNCC2)n1
InChIInChI=1S/C16H28N4/c1-6-13-11-14(12(2)3)19-15(18-13)16(4,5)20-9-7-17-8-10-20/h11-12,17H,6-10H2,1-5H3
InChIKeyMRJIBDLKQAQLIC-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.30
Rot. Bonds4

About 4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine

4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine (PubChem CID 63343044) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine
PubChem CID63343044
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine
SMILESCCc1cc(C(C)C)nc(C(C)(C)N2CCNCC2)n1
InChIInChI=1S/C16H28N4/c1-6-13-11-14(12(2)3)19-15(18-13)16(4,5)20-9-7-17-8-10-20/h11-12,17H,6-10H2,1-5H3
InChIKeyMRJIBDLKQAQLIC-UHFFFAOYSA-N
XLogP2.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 63343418
1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane
CID 63319282
4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole
CID 116969824
3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 63343458
4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole
CID 116891607
7-methyl-2-(2-piperazin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989777
5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
CID 63342811
4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342953
2-ethyl-4-fluoro-6-propan-2-ylpyridine
CID 155119426
ethane;2-ethyl-4-methyl-6-propan-2-ylpyridine
CID 142845622
1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine
CID 82292772
2-(2-methyl-1-piperazin-1-ylpropan-2-yl)-4-propan-2-yl-1,3-thiazole
CID 116967569

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine (CID 63343044) is 4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine is CCc1cc(C(C)C)nc(C(C)(C)N2CCNCC2)n1.
What is the InChIKey of 4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine?
The InChIKey is MRJIBDLKQAQLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-13-11-14(12(2)3)19-15(18-13)16(4,5)20-9-7-17-8-10-20/h11-12,17H,6-10H2,1-5H3.
What are the key properties of 4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine?
4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine has a molecular weight of 276.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-piperazin-1-ylpropan-2-yl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 63343044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).