1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one

C18H28N4O3 — CID 95308710

IUPAC1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
SMILESCCOc1cc(C)nc(N2CCN(C(=O)CC[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C18H28N4O3/c1-3-24-16-13-14(2)19-18(20-16)22-10-8-21(9-11-22)17(23)7-6-15-5-4-12-25-15/h13,15H,3-12H2,1-2H3/t15-/m1/s1
InChIKeyGCTZCTQSJUGDBN-OAHLLOKOSA-N
MW348.45 g/mol
LogP1.79
Rot. Bonds6

About 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one

1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one (PubChem CID 95308710) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
PubChem CID95308710
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
SMILESCCOc1cc(C)nc(N2CCN(C(=O)CC[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C18H28N4O3/c1-3-24-16-13-14(2)19-18(20-16)22-10-8-21(9-11-22)17(23)7-6-15-5-4-12-25-15/h13,15H,3-12H2,1-2H3/t15-/m1/s1
InChIKeyGCTZCTQSJUGDBN-OAHLLOKOSA-N
XLogP1.79
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-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-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95291866
methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate
CID 115973733
1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 136526006
[(1S)-cyclohex-3-en-1-yl]-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 95294197
[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 86949257
3-cyclohexyl-1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121090195
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
CID 4089312
3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 121031730
(2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95293130
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
3-[[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methyl]benzoic acid
CID 122029027
2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 86895330

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
The IUPAC name of 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one (CID 95308710) is 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one is CCOc1cc(C)nc(N2CCN(C(=O)CC[C@H]3CCCO3)CC2)n1.
What is the InChIKey of 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
The InChIKey is GCTZCTQSJUGDBN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-24-16-13-14(2)19-18(20-16)22-10-8-21(9-11-22)17(23)7-6-15-5-4-12-25-15/h13,15H,3-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one has a molecular weight of 348.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one is sourced from PubChem (CID 95308710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).