1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone

C20H28N6O2 — CID 95799201

IUPAC1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESCc1nc(C2CCN(C(=O)Cn3ccnc3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C20H28N6O2/c1-15-16(2)22-19(23-20(15)26-9-11-28-12-10-26)17-3-6-25(7-4-17)18(27)13-24-8-5-21-14-24/h5,8,14,17H,3-4,6-7,9-13H2,1-2H3
InChIKeyVLLAOBKMSJUOPR-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.53
Rot. Bonds4

About 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone

1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone (PubChem CID 95799201) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone
PubChem CID95799201
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESCc1nc(C2CCN(C(=O)Cn3ccnc3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C20H28N6O2/c1-15-16(2)22-19(23-20(15)26-9-11-28-12-10-26)17-3-6-25(7-4-17)18(27)13-24-8-5-21-14-24/h5,8,14,17H,3-4,6-7,9-13H2,1-2H3
InChIKeyVLLAOBKMSJUOPR-UHFFFAOYSA-N
XLogP1.53
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone (CID 95799201) is 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone is Cc1nc(C2CCN(C(=O)Cn3ccnc3)CC2)nc(N2CCOCC2)c1C.
What is the InChIKey of 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone?
The InChIKey is VLLAOBKMSJUOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15-16(2)22-19(23-20(15)26-9-11-28-12-10-26)17-3-6-25(7-4-17)18(27)13-24-8-5-21-14-24/h5,8,14,17H,3-4,6-7,9-13H2,1-2H3.
What are the key properties of 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone?
1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone has a molecular weight of 384.48 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 95799201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).