ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine

C17H32N4 — CID 168923399

IUPACethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine
SMILESCC.CC(C)CN1CCN(c2ncc(C(C)C)cn2)CC1
InChIInChI=1S/C15H26N4.C2H6/c1-12(2)11-18-5-7-19(8-6-18)15-16-9-14(10-17-15)13(3)4;1-2/h9-10,12-13H,5-8,11H2,1-4H3;1-2H3
InChIKeyBEEBUBURYAVQMX-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.40
Rot. Bonds4

About ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine

ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine (PubChem CID 168923399) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Nameethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine
PubChem CID168923399
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Nameethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine
SMILESCC.CC(C)CN1CCN(c2ncc(C(C)C)cn2)CC1
InChIInChI=1S/C15H26N4.C2H6/c1-12(2)11-18-5-7-19(8-6-18)15-16-9-14(10-17-15)13(3)4;1-2/h9-10,12-13H,5-8,11H2,1-4H3;1-2H3
InChIKeyBEEBUBURYAVQMX-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine?
The IUPAC name of ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine (CID 168923399) is ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine.
What is the SMILES notation for ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine?
The canonical SMILES for ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine is CC.CC(C)CN1CCN(c2ncc(C(C)C)cn2)CC1.
What is the InChIKey of ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine?
The InChIKey is BEEBUBURYAVQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4.C2H6/c1-12(2)11-18-5-7-19(8-6-18)15-16-9-14(10-17-15)13(3)4;1-2/h9-10,12-13H,5-8,11H2,1-4H3;1-2H3.
What are the key properties of ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine?
ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine has a molecular weight of 292.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine is sourced from PubChem (CID 168923399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).