4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine

C11H16N6 — CID 64830500

IUPAC4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(-n2ccnc2CCN)n1
InChIInChI=1S/C11H16N6/c1-16(2)11-14-6-4-10(15-11)17-8-7-13-9(17)3-5-12/h4,6-8H,3,5,12H2,1-2H3
InChIKeyVZHOVBVRBGSMMJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.23
Rot. Bonds4

About 4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine

4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 64830500) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID64830500
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(-n2ccnc2CCN)n1
InChIInChI=1S/C11H16N6/c1-16(2)11-14-6-4-10(15-11)17-8-7-13-9(17)3-5-12/h4,6-8H,3,5,12H2,1-2H3
InChIKeyVZHOVBVRBGSMMJ-UHFFFAOYSA-N
XLogP0.23
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine (CID 64830500) is 4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(-n2ccnc2CCN)n1.
What is the InChIKey of 4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is VZHOVBVRBGSMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-16(2)11-14-6-4-10(15-11)17-8-7-13-9(17)3-5-12/h4,6-8H,3,5,12H2,1-2H3.
What are the key properties of 4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine?
4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)imidazol-1-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64830500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).