1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone

C17H26N4O3 — CID 95291866

IUPAC1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
SMILESCCOc1cc(C)nc(N2CCN(C(=O)C[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C17H26N4O3/c1-3-23-15-11-13(2)18-17(19-15)21-8-6-20(7-9-21)16(22)12-14-5-4-10-24-14/h11,14H,3-10,12H2,1-2H3/t14-/m1/s1
InChIKeySAJBARRFLLCMHV-CQSZACIVSA-N
MW334.42 g/mol
LogP1.40
Rot. Bonds5

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

1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone (PubChem CID 95291866) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
PubChem CID95291866
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
SMILESCCOc1cc(C)nc(N2CCN(C(=O)C[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C17H26N4O3/c1-3-23-15-11-13(2)18-17(19-15)21-8-6-20(7-9-21)16(22)12-14-5-4-10-24-14/h11,14H,3-10,12H2,1-2H3/t14-/m1/s1
InChIKeySAJBARRFLLCMHV-CQSZACIVSA-N
XLogP1.40
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone with MolForge

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Related Compounds

1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95308710
methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate
CID 115973733
1-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 170221716
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
[(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
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
CID 4089312
2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 86905482
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]-N-methylmethanamine
CID 112635080
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
[5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133294918

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone?
The IUPAC name of 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone (CID 95291866) is 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone.
What is the SMILES notation for 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone?
The canonical SMILES for 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone is CCOc1cc(C)nc(N2CCN(C(=O)C[C@H]3CCCO3)CC2)n1.
What is the InChIKey of 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone?
The InChIKey is SAJBARRFLLCMHV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-3-23-15-11-13(2)18-17(19-15)21-8-6-20(7-9-21)16(22)12-14-5-4-10-24-14/h11,14H,3-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone?
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 1.40, 5 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]-2-[(2R)-oxolan-2-yl]ethanone is sourced from PubChem (CID 95291866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).