ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine

C14H26N4 — CID 145380251

IUPACethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine
SMILESCC.CCc1cnc(N2CCN(CC)CC2)nc1
InChIInChI=1S/C12H20N4.C2H6/c1-3-11-9-13-12(14-10-11)16-7-5-15(4-2)6-8-16;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeySZULBNNOKCMWDT-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.21
Rot. Bonds3

About ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine

ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine (PubChem CID 145380251) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Nameethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine
PubChem CID145380251
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Nameethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine
SMILESCC.CCc1cnc(N2CCN(CC)CC2)nc1
InChIInChI=1S/C12H20N4.C2H6/c1-3-11-9-13-12(14-10-11)16-7-5-15(4-2)6-8-16;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeySZULBNNOKCMWDT-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine?
The IUPAC name of ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine (CID 145380251) is ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine?
The canonical SMILES for ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine is CC.CCc1cnc(N2CCN(CC)CC2)nc1.
What is the InChIKey of ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine?
The InChIKey is SZULBNNOKCMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.C2H6/c1-3-11-9-13-12(14-10-11)16-7-5-15(4-2)6-8-16;1-2/h9-10H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine?
ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine has a molecular weight of 250.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 145380251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).