6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine

C13H23N5 — CID 80834520

IUPAC6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1N1CCN(C)C(C)C1
InChIInChI=1S/C13H23N5/c1-9(2)11-12(14)15-8-16-13(11)18-6-5-17(4)10(3)7-18/h8-10H,5-7H2,1-4H3,(H2,14,15,16)
InChIKeyOKQDCGOTGCKAOH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.32
Rot. Bonds2

About 6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine

6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80834520) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80834520
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1N1CCN(C)C(C)C1
InChIInChI=1S/C13H23N5/c1-9(2)11-12(14)15-8-16-13(11)18-6-5-17(4)10(3)7-18/h8-10H,5-7H2,1-4H3,(H2,14,15,16)
InChIKeyOKQDCGOTGCKAOH-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine (CID 80834520) is 6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1N1CCN(C)C(C)C1.
What is the InChIKey of 6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is OKQDCGOTGCKAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-9(2)11-12(14)15-8-16-13(11)18-6-5-17(4)10(3)7-18/h8-10H,5-7H2,1-4H3,(H2,14,15,16).
What are the key properties of 6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine?
6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80834520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).