2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine

C13H22N4 — CID 56724753

IUPAC2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C13H22N4/c1-9-5-10(2)8-17(7-9)13-15-11(3)6-12(14-4)16-13/h6,9-10H,5,7-8H2,1-4H3,(H,14,15,16)
InChIKeyJNDLNSYUYIZWDP-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.31
Rot. Bonds2

About 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine

2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 56724753) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine
PubChem CID56724753
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(N2CC(C)CC(C)C2)n1
InChIInChI=1S/C13H22N4/c1-9-5-10(2)8-17(7-9)13-15-11(3)6-12(14-4)16-13/h6,9-10H,5,7-8H2,1-4H3,(H,14,15,16)
InChIKeyJNDLNSYUYIZWDP-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine (CID 56724753) is 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(N2CC(C)CC(C)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is JNDLNSYUYIZWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-5-10(2)8-17(7-9)13-15-11(3)6-12(14-4)16-13/h6,9-10H,5,7-8H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine?
2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 56724753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).