1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

C17H23N5O2 — CID 124945971

IUPAC1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1cc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)nc(C)n1
InChIInChI=1S/C17H23N5O2/c1-12-4-6-22(20-12)7-5-17(23)21-8-9-24-16(11-21)15-10-13(2)18-14(3)19-15/h4,6,10,16H,5,7-9,11H2,1-3H3/t16-/m0/s1
InChIKeyBUWRFBAQURTNBF-INIZCTEOSA-N
MW329.40 g/mol
LogP1.59
Rot. Bonds4

About 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (PubChem CID 124945971) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
PubChem CID124945971
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1cc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)nc(C)n1
InChIInChI=1S/C17H23N5O2/c1-12-4-6-22(20-12)7-5-17(23)21-8-9-24-16(11-21)15-10-13(2)18-14(3)19-15/h4,6,10,16H,5,7-9,11H2,1-3H3/t16-/m0/s1
InChIKeyBUWRFBAQURTNBF-INIZCTEOSA-N
XLogP1.59
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110115964
3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 124946669
1-[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124940912
1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 110118994
1-[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 125017373
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
3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
CID 92562549
(E)-1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 124945662
3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
CID 92562548
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 124984679
3-(3-methylpyrazol-1-yl)-1-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 125021719

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (CID 124945971) is 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is Cc1cc([C@@H]2CN(C(=O)CCn3ccc(C)n3)CCO2)nc(C)n1.
What is the InChIKey of 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The InChIKey is BUWRFBAQURTNBF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-4-6-22(20-12)7-5-17(23)21-8-9-24-16(11-21)15-10-13(2)18-14(3)19-15/h4,6,10,16H,5,7-9,11H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 124945971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).