1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one

C19H24N4O2 — CID 125019079

IUPAC1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
SMILESCc1cc(CC[C@@H]2CN(C(=O)CCc3cccnc3)CCO2)ncn1
InChIInChI=1S/C19H24N4O2/c1-15-11-17(22-14-21-15)5-6-18-13-23(9-10-25-18)19(24)7-4-16-3-2-8-20-12-16/h2-3,8,11-12,14,18H,4-7,9-10,13H2,1H3/t18-/m1/s1
InChIKeyXTOCVOFXNANEKE-GOSISDBHSA-N
MW340.43 g/mol
LogP1.97
Rot. Bonds6

About 1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one

1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 125019079) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID125019079
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
SMILESCc1cc(CC[C@@H]2CN(C(=O)CCc3cccnc3)CCO2)ncn1
InChIInChI=1S/C19H24N4O2/c1-15-11-17(22-14-21-15)5-6-18-13-23(9-10-25-18)19(24)7-4-16-3-2-8-20-12-16/h2-3,8,11-12,14,18H,4-7,9-10,13H2,1H3/t18-/m1/s1
InChIKeyXTOCVOFXNANEKE-GOSISDBHSA-N
XLogP1.97
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 110113956
2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124969498
3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one
CID 124948479
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 124996201
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 124966440
1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124976068
1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124995572
1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110116480
2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
CID 175656276
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124970120
(2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 124960361
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 110116517

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one (CID 125019079) is 1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one is Cc1cc(CC[C@@H]2CN(C(=O)CCc3cccnc3)CCO2)ncn1.
What is the InChIKey of 1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is XTOCVOFXNANEKE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-11-17(22-14-21-15)5-6-18-13-23(9-10-25-18)19(24)7-4-16-3-2-8-20-12-16/h2-3,8,11-12,14,18H,4-7,9-10,13H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 340.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 125019079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).