4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine

C13H23N5 — CID 80793194

IUPAC4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(N2CCC(N(C)C)CC2)n1
InChIInChI=1S/C13H23N5/c1-10-9-15-13(14-2)16-12(10)18-7-5-11(6-8-18)17(3)4/h9,11H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyXHALIHSOQDBBFB-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.36
Rot. Bonds3

About 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine

4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine (PubChem CID 80793194) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine
PubChem CID80793194
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(N2CCC(N(C)C)CC2)n1
InChIInChI=1S/C13H23N5/c1-10-9-15-13(14-2)16-12(10)18-7-5-11(6-8-18)17(3)4/h9,11H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyXHALIHSOQDBBFB-UHFFFAOYSA-N
XLogP1.36
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine (CID 80793194) is 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine is CNc1ncc(C)c(N2CCC(N(C)C)CC2)n1.
What is the InChIKey of 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine?
The InChIKey is XHALIHSOQDBBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10-9-15-13(14-2)16-12(10)18-7-5-11(6-8-18)17(3)4/h9,11H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine?
4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80793194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).