2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine

C12H20N4 — CID 94075339

IUPAC2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NC2CCNCC2)n1
InChIInChI=1S/C12H20N4/c1-8-9(2)14-10(3)15-12(8)16-11-4-6-13-7-5-11/h11,13H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyLBHOMKFOTPRMGK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.57
Rot. Bonds2

About 2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine

2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine (PubChem CID 94075339) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine
PubChem CID94075339
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NC2CCNCC2)n1
InChIInChI=1S/C12H20N4/c1-8-9(2)14-10(3)15-12(8)16-11-4-6-13-7-5-11/h11,13H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyLBHOMKFOTPRMGK-UHFFFAOYSA-N
XLogP1.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine (CID 94075339) is 2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine is Cc1nc(C)c(C)c(NC2CCNCC2)n1.
What is the InChIKey of 2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is LBHOMKFOTPRMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-9(2)14-10(3)15-12(8)16-11-4-6-13-7-5-11/h11,13H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine?
2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 94075339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).