2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine

C11H18N4 — CID 64831656

IUPAC2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine
SMILESCC1(C)CN(Cc2ncccn2)CCN1
InChIInChI=1S/C11H18N4/c1-11(2)9-15(7-6-14-11)8-10-12-4-3-5-13-10/h3-5,14H,6-9H2,1-2H3
InChIKeyRKJYFIIMGOKMCW-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.66
Rot. Bonds2

About 2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine

2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 64831656) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine
PubChem CID64831656
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine
SMILESCC1(C)CN(Cc2ncccn2)CCN1
InChIInChI=1S/C11H18N4/c1-11(2)9-15(7-6-14-11)8-10-12-4-3-5-13-10/h3-5,14H,6-9H2,1-2H3
InChIKeyRKJYFIIMGOKMCW-UHFFFAOYSA-N
XLogP0.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine (CID 64831656) is 2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine is CC1(C)CN(Cc2ncccn2)CCN1.
What is the InChIKey of 2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is RKJYFIIMGOKMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-11(2)9-15(7-6-14-11)8-10-12-4-3-5-13-10/h3-5,14H,6-9H2,1-2H3.
What are the key properties of 2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine?
2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 206.29 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 64831656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).