4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine

C19H32N4 — CID 143595489

IUPAC4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine
SMILESCCCCc1ncnc(N2CCN(C3CCC3)CC2)c1CCC
InChIInChI=1S/C19H32N4/c1-3-5-10-18-17(7-4-2)19(21-15-20-18)23-13-11-22(12-14-23)16-8-6-9-16/h15-16H,3-14H2,1-2H3
InChIKeyIUNGOLJPXQKYBU-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.45
Rot. Bonds7

About 4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine

4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine (PubChem CID 143595489) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine.

Molecular Properties

Compound Name4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine
PubChem CID143595489
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine
SMILESCCCCc1ncnc(N2CCN(C3CCC3)CC2)c1CCC
InChIInChI=1S/C19H32N4/c1-3-5-10-18-17(7-4-2)19(21-15-20-18)23-13-11-22(12-14-23)16-8-6-9-16/h15-16H,3-14H2,1-2H3
InChIKeyIUNGOLJPXQKYBU-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine?
The IUPAC name of 4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine (CID 143595489) is 4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine.
What is the SMILES notation for 4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine?
The canonical SMILES for 4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine is CCCCc1ncnc(N2CCN(C3CCC3)CC2)c1CCC.
What is the InChIKey of 4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine?
The InChIKey is IUNGOLJPXQKYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-3-5-10-18-17(7-4-2)19(21-15-20-18)23-13-11-22(12-14-23)16-8-6-9-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine?
4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine has a molecular weight of 316.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-(4-cyclobutylpiperazin-1-yl)-5-propylpyrimidine is sourced from PubChem (CID 143595489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).