ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate

C17H26N4O4 — CID 119064029

IUPACethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C3CCOC3)nc(COC)n2)CC1
InChIInChI=1S/C17H26N4O4/c1-3-25-17(22)21-7-5-20(6-8-21)16-10-14(13-4-9-24-11-13)18-15(19-16)12-23-2/h10,13H,3-9,11-12H2,1-2H3
InChIKeyHSBSAZAFMPKJGX-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.41
Rot. Bonds5

About ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate

ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 119064029) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID119064029
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Nameethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C3CCOC3)nc(COC)n2)CC1
InChIInChI=1S/C17H26N4O4/c1-3-25-17(22)21-7-5-20(6-8-21)16-10-14(13-4-9-24-11-13)18-15(19-16)12-23-2/h10,13H,3-9,11-12H2,1-2H3
InChIKeyHSBSAZAFMPKJGX-UHFFFAOYSA-N
XLogP1.41
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol
CID 126442787
[4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 125162220
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 119061228
1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 126430096
4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine
CID 126446346
2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
CID 126445987
(1S,5R)-3-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 126436849
1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 126438234
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
CID 126441110
[1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
CID 119065215
tert-butyl 4-[6-(oxolan-3-yl)pyrimidin-4-yl]-1,4-diazepane-1-carboxylate
CID 126849871

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate (CID 119064029) is ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(C3CCOC3)nc(COC)n2)CC1.
What is the InChIKey of ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is HSBSAZAFMPKJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-3-25-17(22)21-7-5-20(6-8-21)16-10-14(13-4-9-24-11-13)18-15(19-16)12-23-2/h10,13H,3-9,11-12H2,1-2H3.
What are the key properties of ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate?
ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 119064029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).