6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine

C13H23N5 — CID 80793674

IUPAC6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCC(N(C)C)CC1
InChIInChI=1S/C13H23N5/c1-4-11-12(14)15-9-16-13(11)18-7-5-10(6-8-18)17(2)3/h9-10H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyANUHKABMMUWKII-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.15
Rot. Bonds3

About 6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine

6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine (PubChem CID 80793674) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine
PubChem CID80793674
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCC(N(C)C)CC1
InChIInChI=1S/C13H23N5/c1-4-11-12(14)15-9-16-13(11)18-7-5-10(6-8-18)17(2)3/h9-10H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyANUHKABMMUWKII-UHFFFAOYSA-N
XLogP1.15
TPSA58.28 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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine (CID 80793674) is 6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1N1CCC(N(C)C)CC1.
What is the InChIKey of 6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine?
The InChIKey is ANUHKABMMUWKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-11-12(14)15-9-16-13(11)18-7-5-10(6-8-18)17(2)3/h9-10H,4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine?
6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)piperidin-1-yl]-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 80793674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).