6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine

C13H23N5 — CID 80834206

IUPAC6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCCC1CN(c2nc(C)nc(N)c2C)CCN1C
InChIInChI=1S/C13H23N5/c1-5-11-8-18(7-6-17(11)4)13-9(2)12(14)15-10(3)16-13/h11H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyNDFVVZATNTXXSU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.21
Rot. Bonds2

About 6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine

6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 80834206) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine
PubChem CID80834206
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCCC1CN(c2nc(C)nc(N)c2C)CCN1C
InChIInChI=1S/C13H23N5/c1-5-11-8-18(7-6-17(11)4)13-9(2)12(14)15-10(3)16-13/h11H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyNDFVVZATNTXXSU-UHFFFAOYSA-N
XLogP1.21
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine (CID 80834206) is 6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine is CCC1CN(c2nc(C)nc(N)c2C)CCN1C.
What is the InChIKey of 6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is NDFVVZATNTXXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-5-11-8-18(7-6-17(11)4)13-9(2)12(14)15-10(3)16-13/h11H,5-8H2,1-4H3,(H2,14,15,16).
What are the key properties of 6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine?
6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80834206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).