2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

C21H30N6O2 — CID 165401430

IUPAC2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCc1ncc(-c2nccn2C)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C21H30N6O2/c1-3-18-23-14-17(21-22-6-9-25(21)2)20(24-18)16-4-7-26(8-5-16)15-19(28)27-10-12-29-13-11-27/h6,9,14,16H,3-5,7-8,10-13,15H2,1-2H3
InChIKeyILSKDJFWCIEBNF-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.48
Rot. Bonds5

About 2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 165401430) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID165401430
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCc1ncc(-c2nccn2C)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C21H30N6O2/c1-3-18-23-14-17(21-22-6-9-25(21)2)20(24-18)16-4-7-26(8-5-16)15-19(28)27-10-12-29-13-11-27/h6,9,14,16H,3-5,7-8,10-13,15H2,1-2H3
InChIKeyILSKDJFWCIEBNF-UHFFFAOYSA-N
XLogP1.48
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 165401430) is 2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is CCc1ncc(-c2nccn2C)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of 2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is ILSKDJFWCIEBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-3-18-23-14-17(21-22-6-9-25(21)2)20(24-18)16-4-7-26(8-5-16)15-19(28)27-10-12-29-13-11-27/h6,9,14,16H,3-5,7-8,10-13,15H2,1-2H3.
What are the key properties of 2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 398.51 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 165401430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).