4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine

C20H30N4 — CID 23583650

IUPAC4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine
SMILESCC1=C(/C=C/c2cc(N3CCCCC3)nc(N)n2)C(C)(C)CCC1
InChIInChI=1S/C20H30N4/c1-15-8-7-11-20(2,3)17(15)10-9-16-14-18(23-19(21)22-16)24-12-5-4-6-13-24/h9-10,14H,4-8,11-13H2,1-3H3,(H2,21,22,23)/b10-9+
InChIKeyPAMUOZSWFXPZLZ-MDZDMXLPSA-N
MW326.49 g/mol
LogP4.59
Rot. Bonds3

About 4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine

4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine (PubChem CID 23583650) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine
PubChem CID23583650
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine
SMILESCC1=C(/C=C/c2cc(N3CCCCC3)nc(N)n2)C(C)(C)CCC1
InChIInChI=1S/C20H30N4/c1-15-8-7-11-20(2,3)17(15)10-9-16-14-18(23-19(21)22-16)24-12-5-4-6-13-24/h9-10,14H,4-8,11-13H2,1-3H3,(H2,21,22,23)/b10-9+
InChIKeyPAMUOZSWFXPZLZ-MDZDMXLPSA-N
XLogP4.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine?
The IUPAC name of 4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine (CID 23583650) is 4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine is CC1=C(/C=C/c2cc(N3CCCCC3)nc(N)n2)C(C)(C)CCC1.
What is the InChIKey of 4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine?
The InChIKey is PAMUOZSWFXPZLZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H30N4/c1-15-8-7-11-20(2,3)17(15)10-9-16-14-18(23-19(21)22-16)24-12-5-4-6-13-24/h9-10,14H,4-8,11-13H2,1-3H3,(H2,21,22,23)/b10-9+.
What are the key properties of 4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine?
4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine has a molecular weight of 326.49 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 23583650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).