6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine

C12H20N4 — CID 129499414

IUPAC6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(N2[C@@H](C)CCC[C@@H]2C)n1
InChIInChI=1S/C12H20N4/c1-8-5-4-6-9(2)16(8)12-7-11(13)14-10(3)15-12/h7-9H,4-6H2,1-3H3,(H2,13,14,15)/t8-,9-/m0/s1
InChIKeyPOUITQNBOMVVCO-IUCAKERBSA-N
MW220.32 g/mol
LogP2.13
Rot. Bonds1

About 6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine

6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine (PubChem CID 129499414) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine
PubChem CID129499414
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(N2[C@@H](C)CCC[C@@H]2C)n1
InChIInChI=1S/C12H20N4/c1-8-5-4-6-9(2)16(8)12-7-11(13)14-10(3)15-12/h7-9H,4-6H2,1-3H3,(H2,13,14,15)/t8-,9-/m0/s1
InChIKeyPOUITQNBOMVVCO-IUCAKERBSA-N
XLogP2.13
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine (CID 129499414) is 6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine is Cc1nc(N)cc(N2[C@@H](C)CCC[C@@H]2C)n1.
What is the InChIKey of 6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine?
The InChIKey is POUITQNBOMVVCO-IUCAKERBSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-5-4-6-9(2)16(8)12-7-11(13)14-10(3)15-12/h7-9H,4-6H2,1-3H3,(H2,13,14,15)/t8-,9-/m0/s1.
What are the key properties of 6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine?
6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 129499414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).