5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine

C15H22N6 — CID 154817183

IUPAC5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCCN1CCC(n2ccnc2-c2cnc(N(C)C)nc2)C1
InChIInChI=1S/C15H22N6/c1-4-20-7-5-13(11-20)21-8-6-16-14(21)12-9-17-15(18-10-12)19(2)3/h6,8-10,13H,4-5,7,11H2,1-3H3
InChIKeyVSHMYMHMJPIKHV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.67
Rot. Bonds4

About 5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine

5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 154817183) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID154817183
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCCN1CCC(n2ccnc2-c2cnc(N(C)C)nc2)C1
InChIInChI=1S/C15H22N6/c1-4-20-7-5-13(11-20)21-8-6-16-14(21)12-9-17-15(18-10-12)19(2)3/h6,8-10,13H,4-5,7,11H2,1-3H3
InChIKeyVSHMYMHMJPIKHV-UHFFFAOYSA-N
XLogP1.67
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine (CID 154817183) is 5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine is CCN1CCC(n2ccnc2-c2cnc(N(C)C)nc2)C1.
What is the InChIKey of 5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is VSHMYMHMJPIKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-4-20-7-5-13(11-20)21-8-6-16-14(21)12-9-17-15(18-10-12)19(2)3/h6,8-10,13H,4-5,7,11H2,1-3H3.
What are the key properties of 5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine?
5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 154817183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).