(2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone

C18H25N5O2 — CID 70781196

IUPAC(2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCCC(c3nccn3CCOC)C2)cn1
InChIInChI=1S/C18H25N5O2/c1-3-16-20-11-15(12-21-16)18(24)23-7-4-5-14(13-23)17-19-6-8-22(17)9-10-25-2/h6,8,11-12,14H,3-5,7,9-10,13H2,1-2H3
InChIKeyWKDMUZHMITWXLI-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.90
Rot. Bonds6

About (2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone

(2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 70781196) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID70781196
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCCC(c3nccn3CCOC)C2)cn1
InChIInChI=1S/C18H25N5O2/c1-3-16-20-11-15(12-21-16)18(24)23-7-4-5-14(13-23)17-19-6-8-22(17)9-10-25-2/h6,8,11-12,14H,3-5,7,9-10,13H2,1-2H3
InChIKeyWKDMUZHMITWXLI-UHFFFAOYSA-N
XLogP1.90
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 70781196) is (2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone is CCc1ncc(C(=O)N2CCCC(c3nccn3CCOC)C2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is WKDMUZHMITWXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-16-20-11-15(12-21-16)18(24)23-7-4-5-14(13-23)17-19-6-8-22(17)9-10-25-2/h6,8,11-12,14H,3-5,7,9-10,13H2,1-2H3.
What are the key properties of (2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70781196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).