2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine

C14H22N4 — CID 72903567

IUPAC2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCN(CC3CCC3)CC2)nc1
InChIInChI=1S/C14H22N4/c1-12-9-15-14(16-10-12)18-7-5-17(6-8-18)11-13-3-2-4-13/h9-10,13H,2-8,11H2,1H3
InChIKeyLBFDMWXGZFPEFL-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.71
Rot. Bonds3

About 2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine

2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine (PubChem CID 72903567) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine
PubChem CID72903567
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCN(CC3CCC3)CC2)nc1
InChIInChI=1S/C14H22N4/c1-12-9-15-14(16-10-12)18-7-5-17(6-8-18)11-13-3-2-4-13/h9-10,13H,2-8,11H2,1H3
InChIKeyLBFDMWXGZFPEFL-UHFFFAOYSA-N
XLogP1.71
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine (CID 72903567) is 2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine is Cc1cnc(N2CCN(CC3CCC3)CC2)nc1.
What is the InChIKey of 2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine?
The InChIKey is LBFDMWXGZFPEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12-9-15-14(16-10-12)18-7-5-17(6-8-18)11-13-3-2-4-13/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine?
2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine has a molecular weight of 246.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylmethyl)piperazin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 72903567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).