1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C18H25N5O2 — CID 110118994

IUPAC1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1cc(C2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)nc(C)n1
InChIInChI=1S/C18H25N5O2/c1-11-8-16(20-14(4)19-11)17-10-23(6-7-25-17)18(24)9-15-12(2)21-22(5)13(15)3/h8,17H,6-7,9-10H2,1-5H3
InChIKeyWLVHGTOYQHGHFL-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.59
Rot. Bonds3

About 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 110118994) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID110118994
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1cc(C2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)nc(C)n1
InChIInChI=1S/C18H25N5O2/c1-11-8-16(20-14(4)19-11)17-10-23(6-7-25-17)18(24)9-15-12(2)21-22(5)13(15)3/h8,17H,6-7,9-10H2,1-5H3
InChIKeyWLVHGTOYQHGHFL-UHFFFAOYSA-N
XLogP1.59
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone with MolForge

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Related Compounds

1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 124960904
1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 124961996
1-(2-methylmorpholin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 43041355
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110115964
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124945971
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125012935
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 110116012
1-[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 125017373
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 124995524
1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 134040069
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 124984679
[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110115924

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 110118994) is 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1cc(C2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)nc(C)n1.
What is the InChIKey of 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is WLVHGTOYQHGHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-8-16(20-14(4)19-11)17-10-23(6-7-25-17)18(24)9-15-12(2)21-22(5)13(15)3/h8,17H,6-7,9-10H2,1-5H3.
What are the key properties of 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 343.43 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 110118994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).