2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine

C24H28N4 — CID 95810588

IUPAC2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine
SMILESCCc1ncc(CN2CCC[C@@H](c3cccc(-c4cccc(C)c4)n3)C2)cn1
InChIInChI=1S/C24H28N4/c1-3-24-25-14-19(15-26-24)16-28-12-6-9-21(17-28)23-11-5-10-22(27-23)20-8-4-7-18(2)13-20/h4-5,7-8,10-11,13-15,21H,3,6,9,12,16-17H2,1-2H3/t21-/m1/s1
InChIKeyBTVVVSKNMTUODX-OAQYLSRUSA-N
MW372.52 g/mol
LogP4.79
Rot. Bonds5

About 2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine

2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine (PubChem CID 95810588) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine
PubChem CID95810588
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine
SMILESCCc1ncc(CN2CCC[C@@H](c3cccc(-c4cccc(C)c4)n3)C2)cn1
InChIInChI=1S/C24H28N4/c1-3-24-25-14-19(15-26-24)16-28-12-6-9-21(17-28)23-11-5-10-22(27-23)20-8-4-7-18(2)13-20/h4-5,7-8,10-11,13-15,21H,3,6,9,12,16-17H2,1-2H3/t21-/m1/s1
InChIKeyBTVVVSKNMTUODX-OAQYLSRUSA-N
XLogP4.79
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809141
2-(3-methylphenyl)-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 110249816
2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 95810295
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 95810615
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249834
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809146
4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858528
4-[(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136735076
5-[(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 92589345
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 132767471

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine (CID 95810588) is 2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine is CCc1ncc(CN2CCC[C@@H](c3cccc(-c4cccc(C)c4)n3)C2)cn1.
What is the InChIKey of 2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine?
The InChIKey is BTVVVSKNMTUODX-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28N4/c1-3-24-25-14-19(15-26-24)16-28-12-6-9-21(17-28)23-11-5-10-22(27-23)20-8-4-7-18(2)13-20/h4-5,7-8,10-11,13-15,21H,3,6,9,12,16-17H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine?
2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine has a molecular weight of 372.52 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 95810588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).