2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine

C13H22N4 — CID 64834432

IUPAC2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine
SMILESCC(C)CC1CN(Cc2ncccn2)CCN1
InChIInChI=1S/C13H22N4/c1-11(2)8-12-9-17(7-6-14-12)10-13-15-4-3-5-16-13/h3-5,11-12,14H,6-10H2,1-2H3
InChIKeyWMYKUCABAZDMSO-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.30
Rot. Bonds4

About 2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine

2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine (PubChem CID 64834432) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine
PubChem CID64834432
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine
SMILESCC(C)CC1CN(Cc2ncccn2)CCN1
InChIInChI=1S/C13H22N4/c1-11(2)8-12-9-17(7-6-14-12)10-13-15-4-3-5-16-13/h3-5,11-12,14H,6-10H2,1-2H3
InChIKeyWMYKUCABAZDMSO-UHFFFAOYSA-N
XLogP1.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine (CID 64834432) is 2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine is CC(C)CC1CN(Cc2ncccn2)CCN1.
What is the InChIKey of 2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine?
The InChIKey is WMYKUCABAZDMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(2)8-12-9-17(7-6-14-12)10-13-15-4-3-5-16-13/h3-5,11-12,14H,6-10H2,1-2H3.
What are the key properties of 2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine?
2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine has a molecular weight of 234.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 64834432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).